(3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
TL;DR: (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate (CAS 106199-92-2) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
Also Known As: (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate, (3-methyl-1-cyclohex-2-enyl) (Z)-2-methylbut-2-enoate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.9946 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 274.04633 |
Chemical Identifiers
| CAS Number | 106199-92-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC1CCCC(=C1)C |
Product Overview
(3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate (CAS 106199-92-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate.
Chemical Property Profile of (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
Property Insights of (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
The XLogP value of 2.9946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate 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 (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate?
The CAS number of (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate is 106199-92-2.
What is the molecular formula of (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate?
The molecular formula of (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate is C12H18O2.
What is the molecular weight of (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate?
The molecular weight of (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate is 194.13 g/mol.
Where can I buy (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate?
You can request a quote for (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.