Hex-3-enyl 2-oxocyclopentane-1-carboxylate
TL;DR: Hex-3-enyl 2-oxocyclopentane-1-carboxylate (CAS 94087-84-0) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl 2-oxocyclopentane-1-carboxylate
Also Known As: EINECS 301-978-4, (Z)-3-Hexenyl 2-oxocyclopentanecarboxylate
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.2551 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 255.59285 |
Chemical Identifiers
| CAS Number | 94087-84-0 |
|---|---|
| SMILES | CCC=CCCOC(=O)C1CCCC1=O |
Product Overview
Hex-3-enyl 2-oxocyclopentane-1-carboxylate (CAS 94087-84-0), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: hex-3-enyl 2-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Hex-3-enyl 2-oxocyclopentane-1-carboxylate
Property Insights of Hex-3-enyl 2-oxocyclopentane-1-carboxylate
The XLogP value of 2.2551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-3-enyl 2-oxocyclopentane-1-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Hex-3-enyl 2-oxocyclopentane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-enyl 2-oxocyclopentane-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 Hex-3-enyl 2-oxocyclopentane-1-carboxylate?
The CAS number of Hex-3-enyl 2-oxocyclopentane-1-carboxylate is 94087-84-0.
What is the molecular formula of Hex-3-enyl 2-oxocyclopentane-1-carboxylate?
The molecular formula of Hex-3-enyl 2-oxocyclopentane-1-carboxylate is C12H18O3.
What is the molecular weight of Hex-3-enyl 2-oxocyclopentane-1-carboxylate?
The molecular weight of Hex-3-enyl 2-oxocyclopentane-1-carboxylate is 210.13 g/mol.
Where can I buy Hex-3-enyl 2-oxocyclopentane-1-carboxylate?
You can request a quote for Hex-3-enyl 2-oxocyclopentane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-3-enyl 2-oxocyclopentane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-enyl 2-oxocyclopentane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.