2,6-Dimethylhept-5-enyl acetate
TL;DR: 2,6-Dimethylhept-5-enyl acetate (CAS 51979-48-7) 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.
2,6-dimethylhept-5-enyl acetate
Also Known As: 2,6-dimethylhept-5-enyl acetate, 2,6-dimethylhept-5-en-1-yl acetate, 2,6-dimethyl-5-heptenyl acetate, 5-Hepten-1-ol,2,6-dimethyl-, 1-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 | 51979-48-7 |
|---|---|
| SMILES | CC(CCC=C(C)C)COC(=O)C |
| InChIKey | CFBVAIAOJMGBLS-UHFFFAOYSA-N |
Product Overview
2,6-Dimethylhept-5-enyl acetate (CAS 51979-48-7), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 2,6-dimethylhept-5-enyl acetate.
Chemical Property Profile of 2,6-Dimethylhept-5-enyl acetate
Property Insights of 2,6-Dimethylhept-5-enyl acetate
The XLogP value of 3.2 indicates that 2,6-Dimethylhept-5-enyl 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-Dimethylhept-5-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylhept-5-enyl 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-Dimethylhept-5-enyl acetate?
The CAS number of 2,6-Dimethylhept-5-enyl acetate is 51979-48-7.
What is the molecular formula of 2,6-Dimethylhept-5-enyl acetate?
The molecular formula of 2,6-Dimethylhept-5-enyl acetate is C11H20O2.
What is the molecular weight of 2,6-Dimethylhept-5-enyl acetate?
The molecular weight of 2,6-Dimethylhept-5-enyl acetate is 184.15 g/mol.
Where can I buy 2,6-Dimethylhept-5-enyl acetate?
You can request a quote for 2,6-Dimethylhept-5-enyl 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-Dimethylhept-5-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylhept-5-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.