Methyl 2-isopropyl-4-pentenoate
TL;DR: Methyl 2-isopropyl-4-pentenoate (CAS 93006-72-5) 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.
methyl 2-propan-2-ylpent-4-enoate
Also Known As: Methyl 2-isopropyl-4-pentenoate, methyl 2-isopropylpent-4-enoate, methyl 2-propan-2-ylpent-4-enoate, Methyl2-isopropyl-4-pentenoate, Methyl-2-iso-propenyl-4-pentenoat
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.5 |
| 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 | 138.0 |
Chemical Identifiers
| CAS Number | 93006-72-5 |
|---|---|
| SMILES | CC(C)C(CC=C)C(=O)OC |
| InChIKey | DQBQIJZLLUJFAB-UHFFFAOYSA-N |
Product Overview
Methyl 2-isopropyl-4-pentenoate (CAS 93006-72-5), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: methyl 2-propan-2-ylpent-4-enoate.
Chemical Property Profile of Methyl 2-isopropyl-4-pentenoate
Property Insights of Methyl 2-isopropyl-4-pentenoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isopropyl-4-pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-isopropyl-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-isopropyl-4-pentenoate 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 2-isopropyl-4-pentenoate?
The CAS number of Methyl 2-isopropyl-4-pentenoate is 93006-72-5.
What is the molecular formula of Methyl 2-isopropyl-4-pentenoate?
The molecular formula of Methyl 2-isopropyl-4-pentenoate is C9H16O2.
What is the molecular weight of Methyl 2-isopropyl-4-pentenoate?
The molecular weight of Methyl 2-isopropyl-4-pentenoate is 156.12 g/mol.
Where can I buy Methyl 2-isopropyl-4-pentenoate?
You can request a quote for Methyl 2-isopropyl-4-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-isopropyl-4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-isopropyl-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.