2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)-
TL;DR: 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- (CAS 53543-47-8) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-2-prop-2-enylcyclohex-2-en-1-one
Also Known As: 2-Allyl-3,5,5-trimethyl-2-cyclohexen-1-one, 3,5,5-trimethyl-2-prop-2-enylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)-, 3,5,5-Trimethyl-2-(2-propenyl)-2-cyclohexen-1-one, 2-Allyl-3,5,5-trimethyl-2-cyclohexen-1-one #
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 53543-47-8 |
|---|---|
| SMILES | CC1=C(C(=O)CC(C1)(C)C)CC=C |
| InChIKey | FVUNTBDGUHBYRC-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- (CAS 53543-47-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3,5,5-trimethyl-2-prop-2-enylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)-
Property Insights of 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- 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-2-(2-propenyl)-?
The CAS number of 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- is 53543-47-8.
What is the molecular formula of 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)-?
The molecular formula of 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- is C12H18O.
What is the molecular weight of 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)-?
The molecular weight of 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- is 178.14 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)-?
You can request a quote for 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- 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-2-(2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.