Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate
TL;DR: Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate (CAS 17059-50-6) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-5-propan-2-ylidenecyclohexane-1-carboxylate
Also Known As: methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate, methyl 2-oxo-5-propan-2-ylidenecyclohexane-1-carboxylate, 2-Oxo-5-isopropyliden-cyclohexan-carbonsaeure-methylester, METHYL 2-OXO-5-(PROPAN-2-YLIDENE)CYCLOHEXANE-1-CARBOXYLATE, Cyclohexanecarboxylic acid, 5-(1-methylethylidene)-2-oxo-,methyl ester
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 17059-50-6 |
|---|---|
| SMILES | CC(=C1CCC(=O)C(C1)C(=O)OC)C |
| InChIKey | GRBXISDLYHQKMO-UHFFFAOYSA-N |
Product Overview
Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate (CAS 17059-50-6), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: methyl 2-oxo-5-propan-2-ylidenecyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate
Property Insights of Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate 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 Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate?
The CAS number of Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate is 17059-50-6.
What is the molecular formula of Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate?
The molecular formula of Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate is C11H16O3.
What is the molecular weight of Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate?
The molecular weight of Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate is 196.11 g/mol.
Where can I buy Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate?
You can request a quote for Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-oxo-5-(propan-2-ylidene)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.