3,3-Dimethyl-2-pentanone
TL;DR: 3,3-Dimethyl-2-pentanone (CAS 20669-04-9) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylpentan-2-one
Also Known As: 3,3-Dimethylpentan-2-one, 3,3-Dimethyl-2-pentanone, 6-Dehydroestrone, 2-Pentanone, 3,3-dimethyl-, tert-amyl methyl ketone
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 20669-04-9 |
|---|---|
| SMILES | CCC(C)(C)C(=O)C |
| InChIKey | QSHJLBQLQVSEFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-2-pentanone (CAS 20669-04-9), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 3,3-dimethylpentan-2-one.
Chemical Property Profile of 3,3-Dimethyl-2-pentanone
Property Insights of 3,3-Dimethyl-2-pentanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2-pentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3-Dimethyl-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-pentanone 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-Dimethyl-2-pentanone?
The CAS number of 3,3-Dimethyl-2-pentanone is 20669-04-9.
What is the molecular formula of 3,3-Dimethyl-2-pentanone?
The molecular formula of 3,3-Dimethyl-2-pentanone is C7H14O.
What is the molecular weight of 3,3-Dimethyl-2-pentanone?
The molecular weight of 3,3-Dimethyl-2-pentanone is 114.10 g/mol.
Where can I buy 3,3-Dimethyl-2-pentanone?
You can request a quote for 3,3-Dimethyl-2-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-2-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.