2,2-Dimethylpentyl benzoate
TL;DR: 2,2-Dimethylpentyl benzoate (CAS 6317-58-4) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpentyl benzoate
Also Known As: 2,2-dimethylpentyl benzoate, 1-Pentanol,2,2-dimethyl-,1-benzoate, 1-Pentanol,2,2-dimethyl-, 1-benzoate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 6317-58-4 |
|---|---|
| SMILES | CCCC(C)(C)COC(=O)C1=CC=CC=C1 |
| InChIKey | AYEMZUAGRPAAAA-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpentyl benzoate (CAS 6317-58-4), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 2,2-dimethylpentyl benzoate.
Chemical Property Profile of 2,2-Dimethylpentyl benzoate
Property Insights of 2,2-Dimethylpentyl benzoate
The XLogP value of 4.9 indicates that 2,2-Dimethylpentyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-Dimethylpentyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpentyl benzoate has 0 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 2,2-Dimethylpentyl benzoate?
The CAS number of 2,2-Dimethylpentyl benzoate is 6317-58-4.
What is the molecular formula of 2,2-Dimethylpentyl benzoate?
The molecular formula of 2,2-Dimethylpentyl benzoate is C14H20O2.
What is the molecular weight of 2,2-Dimethylpentyl benzoate?
The molecular weight of 2,2-Dimethylpentyl benzoate is 220.15 g/mol.
Where can I buy 2,2-Dimethylpentyl benzoate?
You can request a quote for 2,2-Dimethylpentyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpentyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpentyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.