2,2-二甲基丁烷
TL;DR: 2,2-二甲基丁烷 (CAS 75-83-2) 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.
2,2-二甲基丁烷
2,2-dimethylbutane
Also Known As: 2,2-DIMETHYLBUTANE, Neohexane, Butane, 2,2-dimethyl-, 2,2-dimethylbutan, 2,2-Dimethyl-butane
| Molecular Formula | C6H14 |
|---|---|
| Molecular Weight | 86.11 g/mol |
| LogP | 3.0 |
| 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 | 29.0 |
| Melting Point | -100.0 °C |
| Boiling Point | 49.7 °C at 760 mmHg |
| Density | 0.649 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | -47.8 °C |
| Vapor Pressure | 274 mmHg at 21.1 °C ; 400 mmHg at 31.0 °C |
| Refractive Index | 1.3688 at 20 °C |
Chemical Identifiers
| CAS Number | 75-83-2 |
|---|---|
| SMILES | CCC(C)(C)C |
| InChIKey | HNRMPXKDFBEGFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二甲基丁烷 (CAS 75-83-2), with molecular formula C6H14 and molecular weight 86.11 g/mol. IUPAC: 2,2-dimethylbutane.
Chemical Property Profile of 2,2-二甲基丁烷
Property Insights of 2,2-二甲基丁烷
The XLogP value of 3.0 indicates that 2,2-二甲基丁烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-二甲基丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基丁烷 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 2,2-二甲基丁烷?
The CAS number of 2,2-二甲基丁烷 is 75-83-2.
What is the molecular formula of 2,2-二甲基丁烷?
The molecular formula of 2,2-二甲基丁烷 is C6H14.
What is the molecular weight of 2,2-二甲基丁烷?
The molecular weight of 2,2-二甲基丁烷 is 86.11 g/mol.
Where can I buy 2,2-二甲基丁烷?
You can request a quote for 2,2-二甲基丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基丁烷?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.