3,4-Dimethylpentan-2-ol
TL;DR: 3,4-Dimethylpentan-2-ol (CAS 64502-86-9) 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-2-ol
Also Known As: 3,4-dimethylpentan-2-ol, 2-Pentanol, 3,4-dimethyl-, 2-Pentanol,3,4-dimethyl-, 3,4-DIMETHYL-2-PENTANOL, RefChem:1065816
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 64502-86-9 |
|---|---|
| SMILES | CC(C)C(C)C(C)O |
| InChIKey | SODKTKJZYBOMMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethylpentan-2-ol (CAS 64502-86-9), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 3,4-dimethylpentan-2-ol.
Chemical Property Profile of 3,4-Dimethylpentan-2-ol
Property Insights of 3,4-Dimethylpentan-2-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylpentan-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4-Dimethylpentan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylpentan-2-ol 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-Dimethylpentan-2-ol?
The CAS number of 3,4-Dimethylpentan-2-ol is 64502-86-9.
What is the molecular formula of 3,4-Dimethylpentan-2-ol?
The molecular formula of 3,4-Dimethylpentan-2-ol is C7H16O.
What is the molecular weight of 3,4-Dimethylpentan-2-ol?
The molecular weight of 3,4-Dimethylpentan-2-ol is 116.12 g/mol.
Where can I buy 3,4-Dimethylpentan-2-ol?
You can request a quote for 3,4-Dimethylpentan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylpentan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylpentan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.