4,4-Dimethyl-1-pentanol
TL;DR: 4,4-Dimethyl-1-pentanol (CAS 3121-79-7) is a chemical compound with molecular formula C7H16O and molecular weight 116.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylpentan-1-ol
Also Known As: 4,4-dimethylpentan-1-ol, 4,4-DIMETHYL-1-PENTANOL, 1-Pentanol, 4,4-dimethyl-, Thiazesim hydrochloride, 1-Pentanol,4-dimethyl-
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 3121-79-7 |
|---|---|
| SMILES | CC(C)(C)CCCO |
| InChIKey | OWCNPTHAWPMOJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethyl-1-pentanol (CAS 3121-79-7), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 4,4-dimethylpentan-1-ol.
Chemical Property Profile of 4,4-Dimethyl-1-pentanol
Property Insights of 4,4-Dimethyl-1-pentanol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-1-pentanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4,4-Dimethyl-1-pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-1-pentanol 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 4,4-Dimethyl-1-pentanol?
The CAS number of 4,4-Dimethyl-1-pentanol is 3121-79-7.
What is the molecular formula of 4,4-Dimethyl-1-pentanol?
The molecular formula of 4,4-Dimethyl-1-pentanol is C7H16O.
What is the molecular weight of 4,4-Dimethyl-1-pentanol?
The molecular weight of 4,4-Dimethyl-1-pentanol is 116.12 g/mol.
Where can I buy 4,4-Dimethyl-1-pentanol?
You can request a quote for 4,4-Dimethyl-1-pentanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-1-pentanol?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-1-pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.