4,4-Dimethyl-pentenoic acid methyl ester
TL;DR: 4,4-Dimethyl-pentenoic acid methyl ester (CAS 16812-85-4) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4,4-dimethylpent-2-enoate
Also Known As: methyl 4,4-dimethylpent-2-enoate, methyl (E)-4,4-dimethylpent-2-enoate, Methyl (2E)-4,4-dimethyl-2-pentenoate, methyl4,4-dimethylpent-2-enoate, methyl (2e)-4,4-dimethylpent-2-enoate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.7617 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 139.82681 |
Chemical Identifiers
| CAS Number | 16812-85-4 |
|---|---|
| SMILES | CC(C)(C)/C=C/C(=O)OC |
Product Overview
4,4-Dimethyl-pentenoic acid methyl ester (CAS 16812-85-4), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: methyl (E)-4,4-dimethylpent-2-enoate.
Chemical Property Profile of 4,4-Dimethyl-pentenoic acid methyl ester
Property Insights of 4,4-Dimethyl-pentenoic acid methyl ester
The XLogP value of 1.7617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-pentenoic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 4,4-Dimethyl-pentenoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-pentenoic acid 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 4,4-Dimethyl-pentenoic acid methyl ester?
The CAS number of 4,4-Dimethyl-pentenoic acid methyl ester is 16812-85-4.
What is the molecular formula of 4,4-Dimethyl-pentenoic acid methyl ester?
The molecular formula of 4,4-Dimethyl-pentenoic acid methyl ester is C8H14O2.
What is the molecular weight of 4,4-Dimethyl-pentenoic acid methyl ester?
The molecular weight of 4,4-Dimethyl-pentenoic acid methyl ester is 142.10 g/mol.
Where can I buy 4,4-Dimethyl-pentenoic acid methyl ester?
You can request a quote for 4,4-Dimethyl-pentenoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-pentenoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-pentenoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.