(1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol
TL;DR: (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol (CAS 513-23-5) is a chemical compound with molecular formula C10H18O and molecular weight 154.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
Also Known As: Thujyl alcohol, Isothujol, Thujol, 3-Thujanol, Thujylalcohol
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O |
| Molecular Weight | 154.13577 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 Da |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
| SMILES | CC1C2CC2(CC1O)C(C)C |
| InChIKey | DZVXRFMREAADPP-UHFFFAOYSA-N |
Product Description
Applications: (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol is used in agrochemical development, including crop protection agent synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
(1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol is a agrochemical intermediate identified by CAS number 513-23-5 and the molecular formula C10H18O and a molecular weight of 154.14 g/mol. Synonyms include Thujyl alcohol and Isothujol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol
Property Insights of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol?
The CAS number of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol is 513-23-5.
What is the molecular formula of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol?
The molecular formula of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol is C10H18O.
What is the molecular weight of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol?
The molecular weight of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol is 154.13577 g/mol.
What are the applications of (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol?
(1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol is used in agrochemical development, including crop protection agent synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis....
Where can I buy (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol?
You can request a quote for (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol?
Yes, CoreyChem provides custom synthesis services for (1alpha,3alpha,4alpha,5alpha)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.