2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-
TL;DR: 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)- (CAS 69522-93-6) is a chemical compound with molecular formula C13H18O and molecular weight 190.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)but-2-en-1-one
Also Known As: 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-, 1-(6,6-Dimethyl-2-methylene-3-cyclohexen-1-yl)-2-buten-1-one, 1-(6,6-DIMETHYL-2-METHYLIDENECYCLOHEX-3-EN-1-YL)BUT-2-EN-1-ONE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O |
| Molecular Weight | 190.13577 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.13577 Da |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
| SMILES | CC=CC(=O)C1C(=C)C=CCC1(C)C |
| InChIKey | NTFPXECSILEYKG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-
Property Insights of 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-
The XLogP value of 3.2 indicates that 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-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, 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-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
What is the CAS number of 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-?
The CAS number of 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)- is 69522-93-6.
What is the molecular formula of 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-?
The molecular formula of 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)- is C13H18O.
What is the molecular weight of 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-?
The molecular weight of 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)- is 190.13577 g/mol.
Where can I buy 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-?
You can request a quote for 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-?
Yes, CoreyChem provides custom synthesis services for 2-Buten-1-one, 1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.