![Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- structure](/static/products/854/854912-06-4.png)
Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-
TL;DR: Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- (CAS 854912-06-4) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptan-3-one
Also Known As: Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-, 6,6-dimethyl-4-(2-methylpropyl)bicyclo[3.1.1]heptan-3-one, 2-Isobutyl-6,6-dimethylbicyclo[3.1.1]heptan-3-one #, Bicyclo[3.1.1]heptan-3-one,6,6-dimethyl-2-(2-methylpropyl), 6,6-DIMETHYL-2-(2-METHYLPROPYL)BICYCLO[3.1.1]HEPTAN-3-ONE
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 854912-06-4 |
|---|---|
| SMILES | CC(C)CC1C2CC(C2(C)C)CC1=O |
| InChIKey | BLQUUSSRJOLJLD-UHFFFAOYSA-N |
Product Overview
Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- (CAS 854912-06-4), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptan-3-one.
Chemical Property Profile of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-
Property Insights of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-
The XLogP value of 3.4 indicates that Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- 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 Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-?
The CAS number of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- is 854912-06-4.
What is the molecular formula of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-?
The molecular formula of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- is C13H22O.
What is the molecular weight of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-?
The molecular weight of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- is 194.17 g/mol.
Where can I buy Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-?
You can request a quote for Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.