Hexanoic acid, 2-(1-methylethyl)
TL;DR: Hexanoic acid, 2-(1-methylethyl) (CAS 27610-89-5) 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.
2-propan-2-ylhexanoic acid
Also Known As: 2-(propan-2-yl)hexanoic acid, 2-isopropyl-hexanoic acid, 2-propan-2-ylhexanoic acid, 2-isopropylhexanoic acid, 2-isopropyl hexanoic acid
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.5334 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 118.73114 |
Chemical Identifiers
| CAS Number | 27610-89-5 |
|---|---|
| SMILES | CCCCC(C(C)C)C(=O)O |
Product Overview
Hexanoic acid, 2-(1-methylethyl) (CAS 27610-89-5), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-propan-2-ylhexanoic acid.
Chemical Property Profile of Hexanoic acid, 2-(1-methylethyl)
Property Insights of Hexanoic acid, 2-(1-methylethyl)
The XLogP value of 2.5334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-(1-methylethyl). With a topological polar surface area (TPSA) of 37.3 Ų, Hexanoic acid, 2-(1-methylethyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-(1-methylethyl) has 1 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 Hexanoic acid, 2-(1-methylethyl)?
The CAS number of Hexanoic acid, 2-(1-methylethyl) is 27610-89-5.
What is the molecular formula of Hexanoic acid, 2-(1-methylethyl)?
The molecular formula of Hexanoic acid, 2-(1-methylethyl) is C9H18O2.
What is the molecular weight of Hexanoic acid, 2-(1-methylethyl)?
The molecular weight of Hexanoic acid, 2-(1-methylethyl) is 158.13 g/mol.
Where can I buy Hexanoic acid, 2-(1-methylethyl)?
You can request a quote for Hexanoic acid, 2-(1-methylethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-(1-methylethyl)?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-(1-methylethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.