2-甲基己烷
TL;DR: 2-甲基己烷 (CAS 591-76-4) is a chemical compound with molecular formula C7H16 and molecular weight 100.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基己烷
2-methylhexane
Also Known As: 2-METHYLHEXANE, Hexane, 2-methyl-, Isobepane, 2-methyl hexane, 2-methyl-hexane
| Molecular Formula | C7H16 |
|---|---|
| Molecular Weight | 100.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.1252 |
| Heavy Atoms | 7 |
| Complexity | 29.0 |
| Melting Point | -118 °C |
| Boiling Point | 90 °C |
| Density | Relative density (water = 1): 0.68 |
| Solubility | Solubility in water: none |
| Flash Point | -18 °C c.c. |
| Vapor Pressure | 66.0 [mmHg] |
Chemical Identifiers
| CAS Number | 591-76-4 |
|---|---|
| SMILES | CCCCC(C)C |
| InChIKey | GXDHCNNESPLIKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基己烷 (CAS 591-76-4), with molecular formula C7H16 and molecular weight 100.13 g/mol. IUPAC: 2-methylhexane.
Chemical Property Profile of 2-甲基己烷
Property Insights of 2-甲基己烷
The XLogP value of 3.7 indicates that 2-甲基己烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-甲基己烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基己烷 has 0 hydrogen bond donor(s) and 0 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-甲基己烷?
The CAS number of 2-甲基己烷 is 591-76-4.
What is the molecular formula of 2-甲基己烷?
The molecular formula of 2-甲基己烷 is C7H16.
What is the molecular weight of 2-甲基己烷?
The molecular weight of 2-甲基己烷 is 100.13 g/mol.
Where can I buy 2-甲基己烷?
You can request a quote for 2-甲基己烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基己烷?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基己烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.