1-Propen-1-one, 2-methyl-
TL;DR: 1-Propen-1-one, 2-methyl- (CAS 598-26-5) is a chemical compound with molecular formula CC(=C=O)C and molecular weight 70.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-1-en-1-one
Also Known As: Dimethylketene, 2-methylprop-1-en-1-one, dimethyl ketene, Ketene, dimethyl-, 2-Methyl-1-propen-1-one
| Molecular Formula | CC(=C=O)C |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 70.04186 |
| Heavy Atoms | 5 |
| Complexity | 63.0 |
| Melting Point | -97.5 °C |
| Boiling Point | 34 °C @760 [mm Hg] |
Chemical Identifiers
| CAS Number | 598-26-5 |
|---|---|
| SMILES | CC(=C=O)C |
| InChIKey | VDOKWPVSGXHSNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propen-1-one, 2-methyl- (CAS 598-26-5), with molecular formula CC(=C=O)C and molecular weight 70.04 g/mol. IUPAC: 2-methylprop-1-en-1-one.
Chemical Property Profile of 1-Propen-1-one, 2-methyl-
Property Insights of 1-Propen-1-one, 2-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propen-1-one, 2-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Propen-1-one, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propen-1-one, 2-methyl- 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-Propen-1-one, 2-methyl-?
The CAS number of 1-Propen-1-one, 2-methyl- is 598-26-5.
What is the molecular formula of 1-Propen-1-one, 2-methyl-?
The molecular formula of 1-Propen-1-one, 2-methyl- is CC(=C=O)C.
What is the molecular weight of 1-Propen-1-one, 2-methyl-?
The molecular weight of 1-Propen-1-one, 2-methyl- is 70.04 g/mol.
Where can I buy 1-Propen-1-one, 2-methyl-?
You can request a quote for 1-Propen-1-one, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propen-1-one, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propen-1-one, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.