3-Methylhex-2-en-1-ol
TL;DR: 3-Methylhex-2-en-1-ol (CAS 70771-72-1) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhex-2-en-1-ol
Also Known As: 3-methylhex-2-en-1-ol, 2-Hexen-1-ol, 3-methyl-, (2E)-3-Methyl-2-hexen-1-ol, 2-Hexen-1-ol,3-methyl-, (2E)-, 3-METHYL-2-HEXEN-1-OL (E)
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 70771-72-1 |
|---|---|
| SMILES | CCCC(=CCO)C |
| InChIKey | CKWCTBJSFBLMOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylhex-2-en-1-ol (CAS 70771-72-1), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 3-methylhex-2-en-1-ol.
Chemical Property Profile of 3-Methylhex-2-en-1-ol
Property Insights of 3-Methylhex-2-en-1-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylhex-2-en-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methylhex-2-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylhex-2-en-1-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
Frequently Asked Questions
What is the CAS number of 3-Methylhex-2-en-1-ol?
The CAS number of 3-Methylhex-2-en-1-ol is 70771-72-1.
What is the molecular formula of 3-Methylhex-2-en-1-ol?
The molecular formula of 3-Methylhex-2-en-1-ol is C7H14O.
What is the molecular weight of 3-Methylhex-2-en-1-ol?
The molecular weight of 3-Methylhex-2-en-1-ol is 114.10 g/mol.
Where can I buy 3-Methylhex-2-en-1-ol?
You can request a quote for 3-Methylhex-2-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylhex-2-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylhex-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.