1-Penten-3-one, 4,4-dimethyl-
TL;DR: 1-Penten-3-one, 4,4-dimethyl- (CAS 2177-30-2) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylpent-1-en-3-one
Also Known As: 4,4-dimethylpent-1-en-3-one, t-butyl vinyl ketone, 4,4-Dimethyl-1-penten-3-one, tert-Butyl vinyl ketone, 1-Penten-3-one, 4,4-dimethyl-
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.7876 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 106.045456 |
Chemical Identifiers
| CAS Number | 2177-30-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=C |
Product Overview
1-Penten-3-one, 4,4-dimethyl- (CAS 2177-30-2), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 1-Penten-3-one, 4,4-dimethyl-
Property Insights of 1-Penten-3-one, 4,4-dimethyl-
The XLogP value of 1.7876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-one, 4,4-dimethyl-. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Penten-3-one, 4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 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
Frequently Asked Questions
What is the CAS number of 1-Penten-3-one, 4,4-dimethyl-?
The CAS number of 1-Penten-3-one, 4,4-dimethyl- is 2177-30-2.
What is the molecular formula of 1-Penten-3-one, 4,4-dimethyl-?
The molecular formula of 1-Penten-3-one, 4,4-dimethyl- is C7H12O.
What is the molecular weight of 1-Penten-3-one, 4,4-dimethyl-?
The molecular weight of 1-Penten-3-one, 4,4-dimethyl- is 112.09 g/mol.
Where can I buy 1-Penten-3-one, 4,4-dimethyl-?
You can request a quote for 1-Penten-3-one, 4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-one, 4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.