二甲基庚烷
TL;DR: 二甲基庚烷 (CAS 592-27-8) is a chemical compound with molecular formula C8H18 and molecular weight 114.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲基庚烷
2-methylheptane
Also Known As: 2-METHYLHEPTANE, Isooctane, Heptane, 2-methyl-, Methylheptane, 2-methyl-heptane
| Molecular Formula | C8H18 |
|---|---|
| Molecular Weight | 114.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.140854 |
| Heavy Atoms | 8 |
| Complexity | 37.0 |
| Melting Point | -109 °C |
| Boiling Point | 116 °C |
| Density | Relative density (water = 1): 0.698 |
| Solubility | Solubility in water: none |
| Flash Point | 4.4 °C |
| Vapor Pressure | 20.7 [mmHg] |
Chemical Identifiers
| CAS Number | 592-27-8 |
|---|---|
| SMILES | CCCCCC(C)C |
| InChIKey | JVSWJIKNEAIKJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲基庚烷 (CAS 592-27-8), with molecular formula C8H18 and molecular weight 114.14 g/mol. IUPAC: 2-methylheptane.
Chemical Property Profile of 二甲基庚烷
Property Insights of 二甲基庚烷
The XLogP value of 4.3 indicates that 二甲基庚烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 二甲基庚烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲基庚烷 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 二甲基庚烷?
The CAS number of 二甲基庚烷 is 592-27-8.
What is the molecular formula of 二甲基庚烷?
The molecular formula of 二甲基庚烷 is C8H18.
What is the molecular weight of 二甲基庚烷?
The molecular weight of 二甲基庚烷 is 114.14 g/mol.
Where can I buy 二甲基庚烷?
You can request a quote for 二甲基庚烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基庚烷?
Yes, KEHONG BIO provides custom synthesis services for 二甲基庚烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.