2,3-Dimethylbutanal
TL;DR: 2,3-Dimethylbutanal (CAS 2109-98-0) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylbutanal
Also Known As: 2,3-dimethylbutanal, Butanal, 2,3-dimethyl-, 2,3-Dimethylbutyraldehyde, methyl iso-butylketone, Butyraldehyde, 2,3-dimethyl-
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 2109-98-0 |
|---|---|
| SMILES | CC(C)C(C)C=O |
| InChIKey | AKUUEDVRXOZTBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethylbutanal (CAS 2109-98-0), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 2,3-dimethylbutanal.
Chemical Property Profile of 2,3-Dimethylbutanal
Property Insights of 2,3-Dimethylbutanal
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethylbutanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3-Dimethylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylbutanal 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 2,3-Dimethylbutanal?
The CAS number of 2,3-Dimethylbutanal is 2109-98-0.
What is the molecular formula of 2,3-Dimethylbutanal?
The molecular formula of 2,3-Dimethylbutanal is C6H12O.
What is the molecular weight of 2,3-Dimethylbutanal?
The molecular weight of 2,3-Dimethylbutanal is 100.09 g/mol.
Where can I buy 2,3-Dimethylbutanal?
You can request a quote for 2,3-Dimethylbutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylbutanal?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.