3-methyl-3-Pentanol
TL;DR: 3-methyl-3-Pentanol (CAS 77-74-7) is a chemical compound with molecular formula C6H14O and molecular weight 102.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylpentan-3-ol
Also Known As: 3-METHYL-3-PENTANOL, 3-Methylpentan-3-ol, 3-Pentanol, 3-methyl-, Methyldiethylcarbinol, Methyldiaethylcarbinol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14O |
| Molecular Weight | 102.10446 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.10446 Da |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
| Vapor Pressure | 5.56 [mmHg] |
| SMILES | CCC(C)(CC)O |
| InChIKey | FRDAATYAJDYRNW-UHFFFAOYSA-N |
Product Description
Applications: 3-methyl-3-Pentanol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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).
A heterocyclic building block supplied by CoreyChem, 3-methyl-3-Pentanol (CAS 77-74-7) has the molecular formula C6H14O and a molecular weight of 102.1 g/mol. Synonyms include 3-METHYL-3-PENTANOL and 3-Methylpentan-3-ol.
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 3-methyl-3-Pentanol
Property Insights of 3-methyl-3-Pentanol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-3-Pentanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-methyl-3-Pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-3-Pentanol 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 3-methyl-3-Pentanol?
The CAS number of 3-methyl-3-Pentanol is 77-74-7.
What is the molecular formula of 3-methyl-3-Pentanol?
The molecular formula of 3-methyl-3-Pentanol is C6H14O.
What is the molecular weight of 3-methyl-3-Pentanol?
The molecular weight of 3-methyl-3-Pentanol is 102.10446 g/mol.
What are the applications of 3-methyl-3-Pentanol?
3-methyl-3-Pentanol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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...
Where can I buy 3-methyl-3-Pentanol?
You can request a quote for 3-methyl-3-Pentanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-3-Pentanol?
Yes, CoreyChem provides custom synthesis services for 3-methyl-3-Pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.