2,2-Dimethyl-3-pentanone
TL;DR: 2,2-Dimethyl-3-pentanone (CAS 37719-03-2) is a chemical compound with molecular formula CCC(=O)C(C)(C)C and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpentan-3-one
Also Known As: 2,2-Dimethylpentan-3-one, 2,2-Dimethyl-3-pentanone, Ethyl tert-butyl ketone, tert-Butyl ethyl ketone, 3-Pentanone, 2,2-dimethyl-
| Molecular Formula | CCC(=O)C(C)(C)C |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.8 |
| 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 | 87.0 |
Chemical Identifiers
| CAS Number | 37719-03-2 |
|---|---|
| SMILES | CCC(=O)C(C)(C)C |
| InChIKey | VLNUTKMHYLQCQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-3-pentanone (CAS 37719-03-2), with molecular formula CCC(=O)C(C)(C)C and molecular weight 114.10 g/mol. IUPAC: 2,2-dimethylpentan-3-one.
Chemical Property Profile of 2,2-Dimethyl-3-pentanone
Property Insights of 2,2-Dimethyl-3-pentanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-3-pentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-Dimethyl-3-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-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 2,2-Dimethyl-3-pentanone?
The CAS number of 2,2-Dimethyl-3-pentanone is 37719-03-2.
What is the molecular formula of 2,2-Dimethyl-3-pentanone?
The molecular formula of 2,2-Dimethyl-3-pentanone is CCC(=O)C(C)(C)C.
What is the molecular weight of 2,2-Dimethyl-3-pentanone?
The molecular weight of 2,2-Dimethyl-3-pentanone is 114.10 g/mol.
Where can I buy 2,2-Dimethyl-3-pentanone?
You can request a quote for 2,2-Dimethyl-3-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.