1-Hexanol, 3,3,5-trimethyl-, 1-acetate
TL;DR: 1-Hexanol, 3,3,5-trimethyl-, 1-acetate (CAS 61836-75-7) 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.
3,3,5-trimethylhexyl acetate
Also Known As: 3,3,5-Trimethylhexyl acetate, 1-Hexanol, 3,3,5-trimethyl-, acetate, 1-Hexanol, 3,3,5-trimethyl-, 1-acetate, Acetic acid 3,3,5-trimethylhexyl ester, EINECS 263-269-5
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 61836-75-7 |
|---|---|
| SMILES | CC(C)CC(C)(C)CCOC(=O)C |
| InChIKey | GLSWNDHZBIBVLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexanol, 3,3,5-trimethyl-, 1-acetate (CAS 61836-75-7), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 3,3,5-trimethylhexyl acetate.
Chemical Property Profile of 1-Hexanol, 3,3,5-trimethyl-, 1-acetate
Property Insights of 1-Hexanol, 3,3,5-trimethyl-, 1-acetate
The XLogP value of 3.5 indicates that 1-Hexanol, 3,3,5-trimethyl-, 1-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, 1-Hexanol, 3,3,5-trimethyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanol, 3,3,5-trimethyl-, 1-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 1-Hexanol, 3,3,5-trimethyl-, 1-acetate?
The CAS number of 1-Hexanol, 3,3,5-trimethyl-, 1-acetate is 61836-75-7.
What is the molecular formula of 1-Hexanol, 3,3,5-trimethyl-, 1-acetate?
The molecular formula of 1-Hexanol, 3,3,5-trimethyl-, 1-acetate is C11H22O2.
What is the molecular weight of 1-Hexanol, 3,3,5-trimethyl-, 1-acetate?
The molecular weight of 1-Hexanol, 3,3,5-trimethyl-, 1-acetate is 186.16 g/mol.
Where can I buy 1-Hexanol, 3,3,5-trimethyl-, 1-acetate?
You can request a quote for 1-Hexanol, 3,3,5-trimethyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexanol, 3,3,5-trimethyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanol, 3,3,5-trimethyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.