Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate
TL;DR: Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate (CAS 36699-82-8) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: EINECS 253-159-5, Methyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate, METHYL 3,6-DIMETHYL-4-HYDROXY-2-OXO-3-CYCLOHEXENE-1-CARBOXYLATE, methyl 4-hydroxy-3,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate, methyl 2-hydroxy-3,6-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.2165 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 303.24387 |
Chemical Identifiers
| CAS Number | 36699-82-8 |
|---|---|
| SMILES | CC1CC(=O)C(=C(C1C(=O)OC)O)C |
Product Overview
Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate (CAS 36699-82-8), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: methyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate
Property Insights of Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate
The XLogP value of 1.2165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate has 1 hydrogen bond donor(s) and 4 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 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate?
The CAS number of Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate is 36699-82-8.
What is the molecular formula of Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate?
The molecular formula of Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate is C10H14O4.
What is the molecular weight of Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate?
The molecular weight of Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate is 198.09 g/mol.
Where can I buy Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate?
You can request a quote for Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,6-dimethyl-4-hydroxy-2-oxo-3-cyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.