2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-
TL;DR: 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- (CAS 20548-00-9) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one
Also Known As: 4-Methyleneisophorone, Methyleneisophorone, Isophorone-4-methylene, 4-methylene isophorone, 2-cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 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 | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 20548-00-9 |
|---|---|
| SMILES | CC1=CC(=O)CC(C1=C)(C)C |
| InChIKey | MCGQFKNFKWPWAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- (CAS 20548-00-9), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-
Property Insights of 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- 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 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-?
The CAS number of 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- is 20548-00-9.
What is the molecular formula of 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-?
The molecular formula of 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- is C10H14O.
What is the molecular weight of 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-?
The molecular weight of 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- is 150.10 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-?
You can request a quote for 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.