![4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one structure](/static/products/5693/56933-99-4.webp)
4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one
TL;DR: 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one (CAS 56933-99-4) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)butan-2-one
Also Known As: .alpha.-Pinene, 10-(2-oxopropyl)-, 4-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one, 4-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)butan-2-one, 4-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2-butanone #
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 56933-99-4 |
|---|---|
| SMILES | CC(=O)CCC1=CCC2CC1C2(C)C |
| InChIKey | LHWRJGXMTVYJHO-UHFFFAOYSA-N |
Product Overview
4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one (CAS 56933-99-4), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 4-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)butan-2-one.
Chemical Property Profile of 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one
Property Insights of 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-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 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one?
The CAS number of 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one is 56933-99-4.
What is the molecular formula of 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one?
The molecular formula of 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one is C13H20O.
What is the molecular weight of 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one?
The molecular weight of 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one is 192.15 g/mol.
Where can I buy 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one?
You can request a quote for 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.