1-Penten-3-one, 1-chloro-4,4-dimethyl-
TL;DR: 1-Penten-3-one, 1-chloro-4,4-dimethyl- (CAS 15851-74-8) is a chemical compound with molecular formula C7H11ClO and molecular weight 146.04984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4,4-dimethylpent-1-en-3-one
Also Known As: t-butyl 2-chlorovinyl ketone, 1-chloro-4,4-dimethylpent-1-en-3-one, 1-Penten-3-one, 1-chloro-4,4-dimethyl-, 1-Penten-3-one,1-chloro-4,4-dimethyl
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H11ClO |
| Molecular Weight | 146.04984 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.04984 Da |
| Heavy Atoms | 9 |
| Complexity | 130.0 |
| SMILES | CC(C)(C)C(=O)C=CCl |
| InChIKey | SWRGXGUWAIPLSI-UHFFFAOYSA-N |
Chemical Property Profile of 1-Penten-3-one, 1-chloro-4,4-dimethyl-
Property Insights of 1-Penten-3-one, 1-chloro-4,4-dimethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-one, 1-chloro-4,4-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Penten-3-one, 1-chloro-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 1-chloro-4,4-dimethyl- 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 1-Penten-3-one, 1-chloro-4,4-dimethyl-?
The CAS number of 1-Penten-3-one, 1-chloro-4,4-dimethyl- is 15851-74-8.
What is the molecular formula of 1-Penten-3-one, 1-chloro-4,4-dimethyl-?
The molecular formula of 1-Penten-3-one, 1-chloro-4,4-dimethyl- is C7H11ClO.
What is the molecular weight of 1-Penten-3-one, 1-chloro-4,4-dimethyl-?
The molecular weight of 1-Penten-3-one, 1-chloro-4,4-dimethyl- is 146.04984 g/mol.
Where can I buy 1-Penten-3-one, 1-chloro-4,4-dimethyl-?
You can request a quote for 1-Penten-3-one, 1-chloro-4,4-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Penten-3-one, 1-chloro-4,4-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 1-Penten-3-one, 1-chloro-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.