2-甲基-1-戊醇
TL;DR: 2-甲基-1-戊醇 (CAS 105-30-6) is a chemical compound with molecular formula C6H14O and molecular weight 102.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-1-戊醇
2-methylpentan-1-ol
Also Known As: 2-METHYL-1-PENTANOL, 2-Methylpentan-1-ol, Isohexyl alcohol, 1-Pentanol, 2-methyl-, 2-Methylpentanol
| Molecular Formula | C6H14O |
|---|---|
| Molecular Weight | 102.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.10446 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
| Boiling Point | 148 °C @ 760 MM HG |
| Density | 0.8263 @ 20 °C |
| Solubility | SOL IN ALCOHOL; ETHER; ACETONE |
| Flash Point | 54 °C |
| Vapor Pressure | 1.92 [mmHg] |
| Refractive Index | 1.4182 @ 20 °C; SADTLER REFERENCE NUMBER: 10607 (IR, PRISM) |
Chemical Identifiers
| CAS Number | 105-30-6 |
|---|---|
| SMILES | CCCC(C)CO |
| InChIKey | PFNHSEQQEPMLNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-1-戊醇 (CAS 105-30-6), with molecular formula C6H14O and molecular weight 102.10 g/mol. IUPAC: 2-methylpentan-1-ol.
Chemical Property Profile of 2-甲基-1-戊醇
Property Insights of 2-甲基-1-戊醇
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-1-戊醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-甲基-1-戊醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-1-戊醇 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-甲基-1-戊醇?
The CAS number of 2-甲基-1-戊醇 is 105-30-6.
What is the molecular formula of 2-甲基-1-戊醇?
The molecular formula of 2-甲基-1-戊醇 is C6H14O.
What is the molecular weight of 2-甲基-1-戊醇?
The molecular weight of 2-甲基-1-戊醇 is 102.10 g/mol.
Where can I buy 2-甲基-1-戊醇?
You can request a quote for 2-甲基-1-戊醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-1-戊醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-1-戊醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.