Butanal, 2,2-dimethyl-
TL;DR: Butanal, 2,2-dimethyl- (CAS 2094-75-9) is a chemical compound with molecular formula CCC(C)(C)C=O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylbutanal
Also Known As: 2,2-Dimethylbutanal, Butanal, 2,2-dimethyl-, 2,2-dimethylbutyraldehyde, 2,2-dimethyl-butyraldehyde, 2,2-Dimethylbutanal #
| Molecular Formula | CCC(C)(C)C=O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.5 |
| 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 | 64.0 |
Chemical Identifiers
| CAS Number | 2094-75-9 |
|---|---|
| SMILES | CCC(C)(C)C=O |
| InChIKey | QYPLKDUOPJZROX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanal, 2,2-dimethyl- (CAS 2094-75-9), with molecular formula CCC(C)(C)C=O and molecular weight 100.09 g/mol. IUPAC: 2,2-dimethylbutanal.
Chemical Property Profile of Butanal, 2,2-dimethyl-
Property Insights of Butanal, 2,2-dimethyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanal, 2,2-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Butanal, 2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanal, 2,2-dimethyl- 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 Butanal, 2,2-dimethyl-?
The CAS number of Butanal, 2,2-dimethyl- is 2094-75-9.
What is the molecular formula of Butanal, 2,2-dimethyl-?
The molecular formula of Butanal, 2,2-dimethyl- is CCC(C)(C)C=O.
What is the molecular weight of Butanal, 2,2-dimethyl-?
The molecular weight of Butanal, 2,2-dimethyl- is 100.09 g/mol.
Where can I buy Butanal, 2,2-dimethyl-?
You can request a quote for Butanal, 2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanal, 2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Butanal, 2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.