2,3-二甲基丁烷
TL;DR: 2,3-二甲基丁烷 (CAS 79-29-8) is a chemical compound with molecular formula C6H14 and molecular weight 86.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二甲基丁烷
2,3-dimethylbutane
Also Known As: 2,3-DIMETHYLBUTANE, Diisopropyl, Biisopropyl, Butane, 2,3-dimethyl-, diisopropyl-
| Molecular Formula | C6H14 |
|---|---|
| Molecular Weight | 86.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.10955 |
| Heavy Atoms | 6 |
| Complexity | 21.0 |
| Melting Point | -128.5 °C |
| Boiling Point | 58.0 °C at 760 mmHg |
| Density | 0.6616 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 74.3 °F (NTP, 1992) |
| Flash Point | -28.9 °C |
| Vapor Pressure | 200 mmHg at 21.1 °C ; 400 mmHg at 38.9 °C |
| Refractive Index | SADTLER REF NUMBER: 687 (IR, PRISM); 1.3750 @ 20 °C |
Chemical Identifiers
| CAS Number | 79-29-8 |
|---|---|
| SMILES | CC(C)C(C)C |
| InChIKey | ZFFMLCVRJBZUDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二甲基丁烷 (CAS 79-29-8), with molecular formula C6H14 and molecular weight 86.11 g/mol. IUPAC: 2,3-dimethylbutane.
Chemical Property Profile of 2,3-二甲基丁烷
Property Insights of 2,3-二甲基丁烷
The XLogP value of 3.4 indicates that 2,3-二甲基丁烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3-二甲基丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-二甲基丁烷 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 2,3-二甲基丁烷?
The CAS number of 2,3-二甲基丁烷 is 79-29-8.
What is the molecular formula of 2,3-二甲基丁烷?
The molecular formula of 2,3-二甲基丁烷 is C6H14.
What is the molecular weight of 2,3-二甲基丁烷?
The molecular weight of 2,3-二甲基丁烷 is 86.11 g/mol.
Where can I buy 2,3-二甲基丁烷?
You can request a quote for 2,3-二甲基丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二甲基丁烷?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二甲基丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.