Pentanoic acid, 2,2-dimethyl-, ethenyl ester
TL;DR: Pentanoic acid, 2,2-dimethyl-, ethenyl ester (CAS 44970-05-0) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 2,2-dimethylpentanoate
Also Known As: Vinyl 2,2-dimethylpentanoate, ethenyl 2,2-dimethylpentanoate, Vinyl 2,2-dimethylpentanoate #, 2,2-Dimethylpentanoic acid ethenyl ester, 2,2-Dimethylvaleric acid vinyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 44970-05-0 |
|---|---|
| SMILES | CCCC(C)(C)C(=O)OC=C |
| InChIKey | SSXOSWWUPHFFGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 2,2-dimethyl-, ethenyl ester (CAS 44970-05-0), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: ethenyl 2,2-dimethylpentanoate.
Chemical Property Profile of Pentanoic acid, 2,2-dimethyl-, ethenyl ester
Property Insights of Pentanoic acid, 2,2-dimethyl-, ethenyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 2,2-dimethyl-, ethenyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Pentanoic acid, 2,2-dimethyl-, ethenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2,2-dimethyl-, ethenyl 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 Pentanoic acid, 2,2-dimethyl-, ethenyl ester?
The CAS number of Pentanoic acid, 2,2-dimethyl-, ethenyl ester is 44970-05-0.
What is the molecular formula of Pentanoic acid, 2,2-dimethyl-, ethenyl ester?
The molecular formula of Pentanoic acid, 2,2-dimethyl-, ethenyl ester is C9H16O2.
What is the molecular weight of Pentanoic acid, 2,2-dimethyl-, ethenyl ester?
The molecular weight of Pentanoic acid, 2,2-dimethyl-, ethenyl ester is 156.12 g/mol.
Where can I buy Pentanoic acid, 2,2-dimethyl-, ethenyl ester?
You can request a quote for Pentanoic acid, 2,2-dimethyl-, ethenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 2,2-dimethyl-, ethenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2,2-dimethyl-, ethenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.