2,6-Dimethyl-1,6-heptadien-4-ol acetate
TL;DR: 2,6-Dimethyl-1,6-heptadien-4-ol acetate (CAS 70187-91-6) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylhepta-1,6-dien-4-yl acetate
Also Known As: 2,6-Dimethyl-1,6-heptadien-4-ol acetate, 2,6-dimethylhepta-1,6-dien-4-yl acetate, 2,6-dimethyl-1,6-heptadien-4-yl acetate, 2,6-Dimethyl-1,6-hepyadien-4-ol acetate, J2.493.157I
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 70187-91-6 |
|---|---|
| SMILES | CC(=C)CC(CC(=C)C)OC(=O)C |
| InChIKey | NAASNCRONHZOQA-UHFFFAOYSA-N |
Product Overview
2,6-Dimethyl-1,6-heptadien-4-ol acetate (CAS 70187-91-6), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 2,6-dimethylhepta-1,6-dien-4-yl acetate.
Chemical Property Profile of 2,6-Dimethyl-1,6-heptadien-4-ol acetate
Property Insights of 2,6-Dimethyl-1,6-heptadien-4-ol acetate
The XLogP value of 3.6 indicates that 2,6-Dimethyl-1,6-heptadien-4-ol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethyl-1,6-heptadien-4-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-1,6-heptadien-4-ol acetate has 0 hydrogen bond donor(s) and 2 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 2,6-Dimethyl-1,6-heptadien-4-ol acetate?
The CAS number of 2,6-Dimethyl-1,6-heptadien-4-ol acetate is 70187-91-6.
What is the molecular formula of 2,6-Dimethyl-1,6-heptadien-4-ol acetate?
The molecular formula of 2,6-Dimethyl-1,6-heptadien-4-ol acetate is C11H18O2.
What is the molecular weight of 2,6-Dimethyl-1,6-heptadien-4-ol acetate?
The molecular weight of 2,6-Dimethyl-1,6-heptadien-4-ol acetate is 182.13 g/mol.
Where can I buy 2,6-Dimethyl-1,6-heptadien-4-ol acetate?
You can request a quote for 2,6-Dimethyl-1,6-heptadien-4-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-1,6-heptadien-4-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-1,6-heptadien-4-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.