3-(Methoxycarbonyl)-3-cyclooctenone
TL;DR: 3-(Methoxycarbonyl)-3-cyclooctenone (CAS 17606-95-0) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-3-oxocyclooctene-1-carboxylate
Also Known As: 3-(Methoxycarbonyl)-3-cyclooctenone, methyl (1E)-3-oxocyclooctene-1-carboxylate
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.619 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 240.55441 |
Chemical Identifiers
| CAS Number | 17606-95-0 |
|---|---|
| SMILES | COC(=O)/C/1=C/C(=O)CCCCC1 |
Product Overview
3-(Methoxycarbonyl)-3-cyclooctenone (CAS 17606-95-0), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: methyl (1E)-3-oxocyclooctene-1-carboxylate.
Chemical Property Profile of 3-(Methoxycarbonyl)-3-cyclooctenone
Property Insights of 3-(Methoxycarbonyl)-3-cyclooctenone
The XLogP value of 1.619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methoxycarbonyl)-3-cyclooctenone. With a topological polar surface area (TPSA) of 43.37 Ų, 3-(Methoxycarbonyl)-3-cyclooctenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)-3-cyclooctenone 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 3-(Methoxycarbonyl)-3-cyclooctenone?
The CAS number of 3-(Methoxycarbonyl)-3-cyclooctenone is 17606-95-0.
What is the molecular formula of 3-(Methoxycarbonyl)-3-cyclooctenone?
The molecular formula of 3-(Methoxycarbonyl)-3-cyclooctenone is C10H14O3.
What is the molecular weight of 3-(Methoxycarbonyl)-3-cyclooctenone?
The molecular weight of 3-(Methoxycarbonyl)-3-cyclooctenone is 182.09 g/mol.
Where can I buy 3-(Methoxycarbonyl)-3-cyclooctenone?
You can request a quote for 3-(Methoxycarbonyl)-3-cyclooctenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methoxycarbonyl)-3-cyclooctenone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)-3-cyclooctenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.