4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate
TL;DR: 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate (CAS 29621-55-4) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 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 formate
Also Known As: 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate, (4-prop-1-en-2-ylcyclohexen-1-yl)methyl formate, [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl formate, 4-(1-Methylethenyl)-1-cyclohexene-1-methanol formate, EINECS 249-731-9
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 29621-55-4 |
|---|---|
| SMILES | CC(=C)C1CCC(=CC1)COC=O |
| InChIKey | MMMXGGXIIWGLRU-UHFFFAOYSA-N |
Product Overview
4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate (CAS 29621-55-4), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: (4-prop-1-en-2-ylcyclohexen-1-yl)methyl formate.
Chemical Property Profile of 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate
Property Insights of 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate 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)cyclohex-1-ene-1-methyl formate?
The CAS number of 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate is 29621-55-4.
What is the molecular formula of 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate?
The molecular formula of 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate is C11H16O2.
What is the molecular weight of 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate?
The molecular weight of 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate is 180.12 g/mol.
Where can I buy 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate?
You can request a quote for 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate 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)cyclohex-1-ene-1-methyl formate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.