3,3-Dimethylcyclobutan-1-one
TL;DR: 3,3-Dimethylcyclobutan-1-one (CAS 1192-33-2) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylcyclobutan-1-one
Also Known As: 3,3-dimethylcyclobutan-1-one, 3,3-Dimethylcyclobutanone, Cyclobutanone, 3,3-dimethyl-, 3.3-Dimethylcyclobutanon, 3,3-Dimethylcyclobutanon e
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 1192-33-2 |
|---|---|
| SMILES | CC1(CC(=O)C1)C |
| InChIKey | QKBARYIIIXIZGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethylcyclobutan-1-one (CAS 1192-33-2), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 3,3-dimethylcyclobutan-1-one.
Chemical Property Profile of 3,3-Dimethylcyclobutan-1-one
Property Insights of 3,3-Dimethylcyclobutan-1-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylcyclobutan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3-Dimethylcyclobutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylcyclobutan-1-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 3,3-Dimethylcyclobutan-1-one?
The CAS number of 3,3-Dimethylcyclobutan-1-one is 1192-33-2.
What is the molecular formula of 3,3-Dimethylcyclobutan-1-one?
The molecular formula of 3,3-Dimethylcyclobutan-1-one is C6H10O.
What is the molecular weight of 3,3-Dimethylcyclobutan-1-one?
The molecular weight of 3,3-Dimethylcyclobutan-1-one is 98.07 g/mol.
Where can I buy 3,3-Dimethylcyclobutan-1-one?
You can request a quote for 3,3-Dimethylcyclobutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylcyclobutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylcyclobutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.