(E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one
TL;DR: (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one (CAS 2316-83-8) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one
Also Known As: 4-(2,4-Dimethylcyclohex-4-enyl)but-3-en-2-one, (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one, 4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one, (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one, (3E)-4-(4,6-Dimethyl-3-cyclohexen-1-yl)-3-buten-2-one #
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.124 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 247.8501 |
Chemical Identifiers
| CAS Number | 2316-83-8 |
|---|---|
| SMILES | CC1CC(=CCC1/C=C/C(=O)C)C |
Product Overview
(E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one (CAS 2316-83-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one.
Chemical Property Profile of (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one
Property Insights of (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one
The XLogP value of 3.124 indicates that (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one has 0 hydrogen bond donor(s) and 1 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 (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one?
The CAS number of (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one is 2316-83-8.
What is the molecular formula of (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one?
The molecular formula of (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one is C12H18O.
What is the molecular weight of (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one?
The molecular weight of (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one is 178.14 g/mol.
Where can I buy (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one?
You can request a quote for (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.