2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate
TL;DR: 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate (CAS 94386-39-7) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 3-methylbutanoate
Also Known As: Carvyl-3-methylbutyrate, EINECS 305-261-7, (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 3-methylbutanoate, 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate, 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl 3-methylbutanoate
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 94386-39-7 |
|---|---|
| SMILES | CC1=CCC(CC1OC(=O)CC(C)C)C(=C)C |
| InChIKey | GGESQBHSIRCDBW-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate (CAS 94386-39-7), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 3-methylbutanoate.
Chemical Property Profile of 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate
Property Insights of 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate
The XLogP value of 3.9 indicates that 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate 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
Frequently Asked Questions
What is the CAS number of 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate?
The CAS number of 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate is 94386-39-7.
What is the molecular formula of 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate?
The molecular formula of 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate is C15H24O2.
What is the molecular weight of 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate?
The molecular weight of 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate is 236.18 g/mol.
Where can I buy 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate?
You can request a quote for 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.