2-Methyl-1,6-heptadiene-3-OL
TL;DR: 2-Methyl-1,6-heptadiene-3-OL (CAS 53268-46-5) 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.
2-methylhepta-1,6-dien-3-ol
Also Known As: 2-methylhepta-1,6-dien-3-ol, 2-METHYL-1,6-HEPTADIENE-3-OL, 2-methyl-1,6-heptadien-3-ol, 2-methyl-hepta-1,6-dien-3-ol, RefChem:262907
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.8896 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 105.13526 |
Chemical Identifiers
| CAS Number | 53268-46-5 |
|---|---|
| SMILES | CC(=C)C(CCC=C)O |
Product Overview
2-Methyl-1,6-heptadiene-3-OL (CAS 53268-46-5), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 2-methylhepta-1,6-dien-3-ol.
Chemical Property Profile of 2-Methyl-1,6-heptadiene-3-OL
Property Insights of 2-Methyl-1,6-heptadiene-3-OL
The XLogP value of 1.8896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,6-heptadiene-3-OL. With a topological polar surface area (TPSA) of 20.23 Ų, 2-Methyl-1,6-heptadiene-3-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,6-heptadiene-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 2-Methyl-1,6-heptadiene-3-OL?
The CAS number of 2-Methyl-1,6-heptadiene-3-OL is 53268-46-5.
What is the molecular formula of 2-Methyl-1,6-heptadiene-3-OL?
The molecular formula of 2-Methyl-1,6-heptadiene-3-OL is C8H14O.
What is the molecular weight of 2-Methyl-1,6-heptadiene-3-OL?
The molecular weight of 2-Methyl-1,6-heptadiene-3-OL is 126.10 g/mol.
Where can I buy 2-Methyl-1,6-heptadiene-3-OL?
You can request a quote for 2-Methyl-1,6-heptadiene-3-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,6-heptadiene-3-OL?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,6-heptadiene-3-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.