2,4-Dimethylheptan-2-ol
TL;DR: 2,4-Dimethylheptan-2-ol (CAS 65822-93-7) is a chemical compound with molecular formula C9H20O and molecular weight 144.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylheptan-2-ol
Also Known As: 2,4-dimethylheptan-2-ol, 2-Heptanol, 2,4-dimethyl-, 2,4-DIMETHYL-2-HEPTANOL
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 65822-93-7 |
|---|---|
| SMILES | CCCC(C)CC(C)(C)O |
| InChIKey | VORBOMMQBCSRQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylheptan-2-ol (CAS 65822-93-7), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 2,4-dimethylheptan-2-ol.
Chemical Property Profile of 2,4-Dimethylheptan-2-ol
Property Insights of 2,4-Dimethylheptan-2-ol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylheptan-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4-Dimethylheptan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylheptan-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 2,4-Dimethylheptan-2-ol?
The CAS number of 2,4-Dimethylheptan-2-ol is 65822-93-7.
What is the molecular formula of 2,4-Dimethylheptan-2-ol?
The molecular formula of 2,4-Dimethylheptan-2-ol is C9H20O.
What is the molecular weight of 2,4-Dimethylheptan-2-ol?
The molecular weight of 2,4-Dimethylheptan-2-ol is 144.15 g/mol.
Where can I buy 2,4-Dimethylheptan-2-ol?
You can request a quote for 2,4-Dimethylheptan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylheptan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylheptan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.