3,4-Dimethyl-1-pentanol
TL;DR: 3,4-Dimethyl-1-pentanol (CAS 6570-87-2) 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.
3,4-dimethylpentan-1-ol
Also Known As: 3,4-Dimethyl-1-pentanol, 3,4-dimethylpentan-1-ol, 1-Pentanol,3,4-dimethyl-, 1-Pentanol, 3,4-dimethyl-, Pentanol, 3,4-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 | 50.0 |
Chemical Identifiers
| CAS Number | 6570-87-2 |
|---|---|
| SMILES | CC(C)C(C)CCO |
| InChIKey | SVJNECJVNWTYQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethyl-1-pentanol (CAS 6570-87-2), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 3,4-dimethylpentan-1-ol.
Chemical Property Profile of 3,4-Dimethyl-1-pentanol
Property Insights of 3,4-Dimethyl-1-pentanol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-1-pentanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4-Dimethyl-1-pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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 3,4-Dimethyl-1-pentanol?
The CAS number of 3,4-Dimethyl-1-pentanol is 6570-87-2.
What is the molecular formula of 3,4-Dimethyl-1-pentanol?
The molecular formula of 3,4-Dimethyl-1-pentanol is C7H16O.
What is the molecular weight of 3,4-Dimethyl-1-pentanol?
The molecular weight of 3,4-Dimethyl-1-pentanol is 116.12 g/mol.
Where can I buy 3,4-Dimethyl-1-pentanol?
You can request a quote for 3,4-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 3,4-Dimethyl-1-pentanol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-1-pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.