(4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate
TL;DR: (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate (CAS 94386-40-0) 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.
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate
Also Known As: EINECS 305-262-2, [4-1-cyclohexen-1-yl]methylisovalerate, [4- -1-cyclohexen-1-yl]methylisovalerate, (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate, [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate
| 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 | 6 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 94386-40-0 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1=CCC(CC1)C(=C)C |
| InChIKey | YOKIAMRQWJSVRG-UHFFFAOYSA-N |
Product Overview
(4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate (CAS 94386-40-0), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: (4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate.
Chemical Property Profile of (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate
Property Insights of (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate
The XLogP value of 3.9 indicates that (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl 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, (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl 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 (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate?
The CAS number of (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate is 94386-40-0.
What is the molecular formula of (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate?
The molecular formula of (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate is C15H24O2.
What is the molecular weight of (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate?
The molecular weight of (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate is 236.18 g/mol.
Where can I buy (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate?
You can request a quote for (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.