Heptanoic acid, 3,6,6-trimethyl-, methyl ester
TL;DR: Heptanoic acid, 3,6,6-trimethyl-, methyl ester (CAS 30448-48-7) 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.
methyl 3,6,6-trimethylheptanoate
Also Known As: Methyl 3,6,6-trimethylheptanoate, 3,6,6-Trimethylheptanoicacidmethylester, Methyl 3,6,6-trimethylheptanoate #, 3,6,6-Trimethylheptanoic acid methyl ester, Heptanoic acid, 3,6,6-trimethyl-, methyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.1 |
| 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 | 156.0 |
Chemical Identifiers
| CAS Number | 30448-48-7 |
|---|---|
| SMILES | CC(CCC(C)(C)C)CC(=O)OC |
| InChIKey | DFLQEAGBIWZTKO-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, 3,6,6-trimethyl-, methyl ester (CAS 30448-48-7), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: methyl 3,6,6-trimethylheptanoate.
Chemical Property Profile of Heptanoic acid, 3,6,6-trimethyl-, methyl ester
Property Insights of Heptanoic acid, 3,6,6-trimethyl-, methyl ester
The XLogP value of 4.1 indicates that Heptanoic acid, 3,6,6-trimethyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptanoic acid, 3,6,6-trimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 3,6,6-trimethyl-, methyl ester 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 Heptanoic acid, 3,6,6-trimethyl-, methyl ester?
The CAS number of Heptanoic acid, 3,6,6-trimethyl-, methyl ester is 30448-48-7.
What is the molecular formula of Heptanoic acid, 3,6,6-trimethyl-, methyl ester?
The molecular formula of Heptanoic acid, 3,6,6-trimethyl-, methyl ester is C11H22O2.
What is the molecular weight of Heptanoic acid, 3,6,6-trimethyl-, methyl ester?
The molecular weight of Heptanoic acid, 3,6,6-trimethyl-, methyl ester is 186.16 g/mol.
Where can I buy Heptanoic acid, 3,6,6-trimethyl-, methyl ester?
You can request a quote for Heptanoic acid, 3,6,6-trimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 3,6,6-trimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 3,6,6-trimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.