Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate
TL;DR: Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate (CAS 118082-08-9) is a chemical compound with molecular formula C23H38O5 and molecular weight 394.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate, Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate, methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
| Molecular Formula | C23H38O5 |
|---|---|
| Molecular Weight | 394.27 g/mol |
| LogP | 5.1651 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 394.2719 |
| Heavy Atoms | 28 |
| Complexity | 573.54175 |
Chemical Identifiers
| CAS Number | 118082-08-9 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)OC |
Product Overview
Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate (CAS 118082-08-9), with molecular formula C23H38O5 and molecular weight 394.27 g/mol. IUPAC: methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate
Property Insights of Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate
The XLogP value of 5.1651 indicates that Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate. Following Lipinski's Rule of Five, Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate?
The CAS number of Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate is 118082-08-9.
What is the molecular formula of Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate?
The molecular formula of Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate is C23H38O5.
What is the molecular weight of Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate?
The molecular weight of Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate is 394.27 g/mol.
Where can I buy Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate?
You can request a quote for Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-dodecanoyl-4-methoxy-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.