3-Methyl-2-cyclopenten-1-one
TL;DR: 3-Methyl-2-cyclopenten-1-one (CAS 2758-18-1) is a chemical compound with molecular formula C6H8O and molecular weight 96.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylcyclopent-2-en-1-one
Also Known As: 3-METHYL-2-CYCLOPENTEN-1-ONE, 3-methylcyclopent-2-en-1-one, 3-Methylcyclopent-2-enone, 3-Methyl-2-cyclopentenone, 2-Cyclopenten-1-one, 3-methyl-
| Molecular Formula | C6H8O |
|---|---|
| Molecular Weight | 96.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 122.0 |
| Density | 0.968-0.975 |
| Solubility | soluble in water; soluble in oil |
| Refractive Index | 1.485-1.491 |
Chemical Identifiers
| CAS Number | 2758-18-1 |
|---|---|
| SMILES | CC1=CC(=O)CC1 |
| InChIKey | CHCCBPDEADMNCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-cyclopenten-1-one (CAS 2758-18-1), with molecular formula C6H8O and molecular weight 96.06 g/mol. IUPAC: 3-methylcyclopent-2-en-1-one.
Chemical Property Profile of 3-Methyl-2-cyclopenten-1-one
Property Insights of 3-Methyl-2-cyclopenten-1-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-cyclopenten-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methyl-2-cyclopenten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-cyclopenten-1-one 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-Methyl-2-cyclopenten-1-one?
The CAS number of 3-Methyl-2-cyclopenten-1-one is 2758-18-1.
What is the molecular formula of 3-Methyl-2-cyclopenten-1-one?
The molecular formula of 3-Methyl-2-cyclopenten-1-one is C6H8O.
What is the molecular weight of 3-Methyl-2-cyclopenten-1-one?
The molecular weight of 3-Methyl-2-cyclopenten-1-one is 96.06 g/mol.
Where can I buy 3-Methyl-2-cyclopenten-1-one?
You can request a quote for 3-Methyl-2-cyclopenten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-cyclopenten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-cyclopenten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.