tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
TL;DR: tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate (CAS 41263-40-5) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: 4-Carbo-tert.-butoxy-5-methylcyclohexan-1.3-dion, tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.9951 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 335.41815 |
Chemical Identifiers
| CAS Number | 41263-40-5 |
|---|---|
| SMILES | C[C@@H]1CC(=O)C=C([C@H]1C(=O)OC(C)(C)C)O |
Product Overview
tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate (CAS 41263-40-5), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate.
Chemical Property Profile of tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
Property Insights of tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
The XLogP value of 1.9951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-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 tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The CAS number of tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate is 41263-40-5.
What is the molecular formula of tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The molecular formula of tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate is C12H18O4.
What is the molecular weight of tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate?
The molecular weight of tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate is 226.12 g/mol.
Where can I buy tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate?
You can request a quote for tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.