2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-
TL;DR: 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- (CAS 959256-89-4) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-en-1-one
Also Known As: 1-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}prop-2-en-1-one, Prop-2-en-1-one, 1-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-, 2-Propen-1-one, 1-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-, 1-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)prop-2-en-1-one, 1-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2-propen-1-one #
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 959256-89-4 |
|---|---|
| SMILES | CC1(C2CC=C(C1C2)C(=O)C=C)C |
| InChIKey | BJIRABLPQUFPFO-UHFFFAOYSA-N |
Product Overview
2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- (CAS 959256-89-4), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-
Property Insights of 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- 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-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-?
The CAS number of 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- is 959256-89-4.
What is the molecular formula of 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-?
The molecular formula of 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- is C12H16O.
What is the molecular weight of 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-?
The molecular weight of 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- is 176.12 g/mol.
Where can I buy 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-?
You can request a quote for 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.