3,3-Dimethyl-2-(propan-2-yl)butanoic acid
TL;DR: 3,3-Dimethyl-2-(propan-2-yl)butanoic acid (CAS 3302-11-2) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-2-propan-2-ylbutanoic acid
Also Known As: t-Butyl-isopropylacetic acid, 3,3-Dimethyl-2-isopropylbutyrate, 2-Isopropyl-3,3-dimethylbutyric acid, 2-ISOPROPYL-3,3-DIMETHYLBUTYRICACID, 3,3-dimethyl-2-(propan-2-yl)butanoic acid
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 3302-11-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)C(C)(C)C |
| InChIKey | DUWPWJQHLHSXAJ-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-2-(propan-2-yl)butanoic acid (CAS 3302-11-2), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3,3-dimethyl-2-propan-2-ylbutanoic acid.
Chemical Property Profile of 3,3-Dimethyl-2-(propan-2-yl)butanoic acid
Property Insights of 3,3-Dimethyl-2-(propan-2-yl)butanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2-(propan-2-yl)butanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,3-Dimethyl-2-(propan-2-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-(propan-2-yl)butanoic acid has 1 hydrogen bond donor(s) and 2 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-(propan-2-yl)butanoic acid?
The CAS number of 3,3-Dimethyl-2-(propan-2-yl)butanoic acid is 3302-11-2.
What is the molecular formula of 3,3-Dimethyl-2-(propan-2-yl)butanoic acid?
The molecular formula of 3,3-Dimethyl-2-(propan-2-yl)butanoic acid is C9H18O2.
What is the molecular weight of 3,3-Dimethyl-2-(propan-2-yl)butanoic acid?
The molecular weight of 3,3-Dimethyl-2-(propan-2-yl)butanoic acid is 158.13 g/mol.
Where can I buy 3,3-Dimethyl-2-(propan-2-yl)butanoic acid?
You can request a quote for 3,3-Dimethyl-2-(propan-2-yl)butanoic acid 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-(propan-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-(propan-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.