(3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate
TL;DR: (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate (CAS 116482-98-5) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methylcyclohex-2-en-1-yl) 2-methylbutanoate
Also Known As: (3-methylcyclohex-2-en-1-yl) 2-methylbutanoate, 3-methylcyclohex-2-en-1-yl 2-methylbutanoate, (3-methyl-1-cyclohex-2-enyl) 2-methylbutanoate, Butanoic acid,2-methyl-, 3-methyl-2-cyclohexen-1-yl ester
Technical Specifications
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.14633 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.14633 Da |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
| SMILES | CCC(C)C(=O)OC1CCCC(=C1)C |
| InChIKey | NGBNKLCXODRRKK-UHFFFAOYSA-N |
Chemical Property Profile of (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate
Property Insights of (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate?
The CAS number of (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate is 116482-98-5.
What is the molecular formula of (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate?
The molecular formula of (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate is C12H20O2.
What is the molecular weight of (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate?
The molecular weight of (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate is 196.14633 g/mol.
Where can I buy (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate?
You can request a quote for (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for (3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.