3,6-Dimethyl-5-hepten-1-ol acetate
TL;DR: 3,6-Dimethyl-5-hepten-1-ol acetate (CAS 62994-74-5) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethylhept-5-enyl acetate
Also Known As: QSPL 109, 3,6-dimethylhept-5-enyl acetate, 3,6-Dimethyl-5-hepten-1-ol acetate, 3,6-Dimethyl-5-heptenyl acetate #, 3,6-dimethylhept-5-en-1-yl acetate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 62994-74-5 |
|---|---|
| SMILES | CC(CCOC(=O)C)CC=C(C)C |
| InChIKey | BZHUMEXADVDNBY-UHFFFAOYSA-N |
Product Overview
3,6-Dimethyl-5-hepten-1-ol acetate (CAS 62994-74-5), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 3,6-dimethylhept-5-enyl acetate.
Chemical Property Profile of 3,6-Dimethyl-5-hepten-1-ol acetate
Property Insights of 3,6-Dimethyl-5-hepten-1-ol acetate
The XLogP value of 3.2 indicates that 3,6-Dimethyl-5-hepten-1-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, 3,6-Dimethyl-5-hepten-1-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-5-hepten-1-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 3,6-Dimethyl-5-hepten-1-ol acetate?
The CAS number of 3,6-Dimethyl-5-hepten-1-ol acetate is 62994-74-5.
What is the molecular formula of 3,6-Dimethyl-5-hepten-1-ol acetate?
The molecular formula of 3,6-Dimethyl-5-hepten-1-ol acetate is C11H20O2.
What is the molecular weight of 3,6-Dimethyl-5-hepten-1-ol acetate?
The molecular weight of 3,6-Dimethyl-5-hepten-1-ol acetate is 184.15 g/mol.
Where can I buy 3,6-Dimethyl-5-hepten-1-ol acetate?
You can request a quote for 3,6-Dimethyl-5-hepten-1-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethyl-5-hepten-1-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-5-hepten-1-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.