6,6-Dimethylheptyl acetate
TL;DR: 6,6-Dimethylheptyl acetate (CAS 71617-18-0) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethylheptyl acetate
Also Known As: 6,6-Dimethylheptyl acetate, 6,6-dimethylheptylacetate, EINECS 275-710-9, Acetic acid, neononylester (9CI), Acetic acid 6,6-dimethylheptyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.156 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 144.6595 |
Chemical Identifiers
| CAS Number | 71617-18-0 |
|---|---|
| SMILES | CC(=O)OCCCCCC(C)(C)C |
Product Overview
6,6-Dimethylheptyl acetate (CAS 71617-18-0), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 6,6-dimethylheptyl acetate.
Chemical Property Profile of 6,6-Dimethylheptyl acetate
Property Insights of 6,6-Dimethylheptyl acetate
The XLogP value of 3.156 indicates that 6,6-Dimethylheptyl 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, 6,6-Dimethylheptyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-Dimethylheptyl 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 6,6-Dimethylheptyl acetate?
The CAS number of 6,6-Dimethylheptyl acetate is 71617-18-0.
What is the molecular formula of 6,6-Dimethylheptyl acetate?
The molecular formula of 6,6-Dimethylheptyl acetate is C11H22O2.
What is the molecular weight of 6,6-Dimethylheptyl acetate?
The molecular weight of 6,6-Dimethylheptyl acetate is 186.16 g/mol.
Where can I buy 6,6-Dimethylheptyl acetate?
You can request a quote for 6,6-Dimethylheptyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethylheptyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethylheptyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.