3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-
TL;DR: 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- (CAS 67662-99-1) 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.
4-(5,5-dimethylcyclohex-3-en-1-yl)but-3-en-2-one
Also Known As: 4-(5,5-Dimethyl-3-cyclohexen-1-yl)-3-buten-2-one, 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-, 1-(3,3-Dimethyl-4-cyclohexene-1-yl)-1-buten-3-one, 4-(5,5-dimethylcyclohex-3-en-1-yl)but-3-en-2-one, 266-844-9
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 67662-99-1 |
|---|---|
| SMILES | CC(=O)C=CC1CC=CC(C1)(C)C |
| InChIKey | XHVGJHYNZGHEFV-UHFFFAOYSA-N |
Product Overview
3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- (CAS 67662-99-1), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4-(5,5-dimethylcyclohex-3-en-1-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-
Property Insights of 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-
The XLogP value of 3.0 indicates that 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- 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 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-?
The CAS number of 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- is 67662-99-1.
What is the molecular formula of 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-?
The molecular formula of 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- is C12H18O.
What is the molecular weight of 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-?
The molecular weight of 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- is 178.14 g/mol.
Where can I buy 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-?
You can request a quote for 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(5,5-dimethyl-3-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.