Methyl 3,3-dimethylpentanoate
TL;DR: Methyl 3,3-dimethylpentanoate (CAS 101186-01-0) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3-dimethylpentanoate
Also Known As: Methyl 3,3-dimethylpentanoate, Methyl3,3-dimethylpentanoate, 3,3-dimethyl-valeric acid methyl ester, Pentanoic acid, 3,3-dimethyl-, methyl ester, 839-330-2
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.9857 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 116.426 |
Chemical Identifiers
| CAS Number | 101186-01-0 |
|---|---|
| SMILES | CCC(C)(C)CC(=O)OC |
Product Overview
Methyl 3,3-dimethylpentanoate (CAS 101186-01-0), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: methyl 3,3-dimethylpentanoate.
Chemical Property Profile of Methyl 3,3-dimethylpentanoate
Property Insights of Methyl 3,3-dimethylpentanoate
The XLogP value of 1.9857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3-dimethylpentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,3-dimethylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3-dimethylpentanoate 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 Methyl 3,3-dimethylpentanoate?
The CAS number of Methyl 3,3-dimethylpentanoate is 101186-01-0.
What is the molecular formula of Methyl 3,3-dimethylpentanoate?
The molecular formula of Methyl 3,3-dimethylpentanoate is C8H16O2.
What is the molecular weight of Methyl 3,3-dimethylpentanoate?
The molecular weight of Methyl 3,3-dimethylpentanoate is 144.12 g/mol.
Where can I buy Methyl 3,3-dimethylpentanoate?
You can request a quote for Methyl 3,3-dimethylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3-dimethylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3-dimethylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.