1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one
TL;DR: 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one (CAS 89780-34-7) 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.
1-(1,3-dimethylcyclohex-3-en-1-yl)but-2-en-1-one
Also Known As: EINECS 280-347-4, 1-(1,3-Dimethyl-3-cyclohexen-1-yl)-2-buten-1-one, 2-Buten-1-one, 1-(1,3-dimethyl-3-cyclohexen-1-yl)-, (E)-, 2-Buten-1-one, 1-(1,3-dimethyl-3-cyclohexen-1-yl)-, (Z)-, 1-(1,3-DIMETHYLCYCLOHEX-3-EN-1-YL)BUT-2-EN-1-ONE
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.2681 |
| 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 | 260.29803 |
Chemical Identifiers
| CAS Number | 89780-34-7 |
|---|---|
| SMILES | CC=CC(=O)C1(CCC=C(C1)C)C |
Product Overview
1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one (CAS 89780-34-7), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-(1,3-dimethylcyclohex-3-en-1-yl)but-2-en-1-one.
Chemical Property Profile of 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one
Property Insights of 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one
The XLogP value of 3.2681 indicates that 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-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, 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-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 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one?
The CAS number of 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one is 89780-34-7.
What is the molecular formula of 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one?
The molecular formula of 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one is C12H18O.
What is the molecular weight of 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one?
The molecular weight of 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one is 178.14 g/mol.
Where can I buy 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one?
You can request a quote for 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Dimethylcyclohex-3-EN-1-YL)but-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.