1-Hexanol, 3,3,5-trimethyl-, 1-propanoate
TL;DR: 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate (CAS 68991-95-7) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-trimethylhexyl propanoate
Also Known As: 3,3,5-Trimethylhexyl propanoate, 3,3,5-Trimethylhexyl propionate, 3,3,5-trimethylhexylpropionate, 1-Hexanol, 3,3,5-trimethyl-, propanoate, 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 68991-95-7 |
|---|---|
| SMILES | CCC(=O)OCCC(C)(C)CC(C)C |
| InChIKey | XTUTYJWSYRBOJQ-UHFFFAOYSA-N |
Product Overview
1-Hexanol, 3,3,5-trimethyl-, 1-propanoate (CAS 68991-95-7), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 3,3,5-trimethylhexyl propanoate.
Chemical Property Profile of 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate
Property Insights of 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate
The XLogP value of 4.0 indicates that 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate 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-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate 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-propanoate?
The CAS number of 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate is 68991-95-7.
What is the molecular formula of 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate?
The molecular formula of 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate is C12H24O2.
What is the molecular weight of 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate?
The molecular weight of 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate is 200.18 g/mol.
Where can I buy 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate?
You can request a quote for 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate 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-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanol, 3,3,5-trimethyl-, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.