3-Methyl-3-hexen-2-ol
TL;DR: 3-Methyl-3-hexen-2-ol (CAS 110383-31-8) is a chemical compound with molecular formula C7H14O and molecular weight 114.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-methylhex-3-en-2-ol
Also Known As: 3-Methyl-3-hexen-2-ol, 3-Hexen-2-ol,3-methyl, (E)-3-methylhex-3-en-2-ol, 3-METHYLHEX-3-EN-2-OL, (3E)-3-Methyl-3-hexen-2-ol
Technical Specifications
| Molecular Formula | C7H14O |
| Molecular Weight | 114.10446 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.10446 Da |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| SMILES | CC/C=C(\C)/C(C)O |
| InChIKey | ALSBKNSBCLYOOI-AATRIKPKSA-N |
Chemical Property Profile of 3-Methyl-3-hexen-2-ol
Property Insights of 3-Methyl-3-hexen-2-ol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-hexen-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methyl-3-hexen-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-hexen-2-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 3-Methyl-3-hexen-2-ol?
The CAS number of 3-Methyl-3-hexen-2-ol is 110383-31-8.
What is the molecular formula of 3-Methyl-3-hexen-2-ol?
The molecular formula of 3-Methyl-3-hexen-2-ol is C7H14O.
What is the molecular weight of 3-Methyl-3-hexen-2-ol?
The molecular weight of 3-Methyl-3-hexen-2-ol is 114.10446 g/mol.
Where can I buy 3-Methyl-3-hexen-2-ol?
You can request a quote for 3-Methyl-3-hexen-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-3-hexen-2-ol?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-3-hexen-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.