3-Methyl-1,6-heptadien-3-ol
TL;DR: 3-Methyl-1,6-heptadien-3-ol (CAS 34780-69-3) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhepta-1,6-dien-3-ol
Also Known As: 3-Methyl-1,6-heptadien-3-ol, 3-methylhepta-1,6-dien-3-ol, 3-Methyl-hepta-1,6-dien-3-ol, 1,6-Heptadien-3-ol,3-methyl, 3-Methyl-1,6-heptadiene-3-ol
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 34780-69-3 |
|---|---|
| SMILES | CC(CCC=C)(C=C)O |
| InChIKey | IOPFTACPYBJWDZ-UHFFFAOYSA-N |
Product Overview
3-Methyl-1,6-heptadien-3-ol (CAS 34780-69-3), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 3-methylhepta-1,6-dien-3-ol.
Chemical Property Profile of 3-Methyl-1,6-heptadien-3-ol
Property Insights of 3-Methyl-1,6-heptadien-3-ol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,6-heptadien-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methyl-1,6-heptadien-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,6-heptadien-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
Frequently Asked Questions
What is the CAS number of 3-Methyl-1,6-heptadien-3-ol?
The CAS number of 3-Methyl-1,6-heptadien-3-ol is 34780-69-3.
What is the molecular formula of 3-Methyl-1,6-heptadien-3-ol?
The molecular formula of 3-Methyl-1,6-heptadien-3-ol is C8H14O.
What is the molecular weight of 3-Methyl-1,6-heptadien-3-ol?
The molecular weight of 3-Methyl-1,6-heptadien-3-ol is 126.10 g/mol.
Where can I buy 3-Methyl-1,6-heptadien-3-ol?
You can request a quote for 3-Methyl-1,6-heptadien-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,6-heptadien-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,6-heptadien-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.