3,3-二甲基己烷
TL;DR: 3,3-二甲基己烷 (CAS 563-16-6) 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.
3,3-二甲基己烷
3,3-dimethylhexane
Also Known As: 3,3-Dimethylhexane, Hexane, 3,3-dimethyl-, 3,3-dimethyl-hexane, Hexane,3-dimethyl-, 3,3-DIMETHYL HEXANE
| Molecular Formula | C8H18 |
|---|---|
| Molecular Weight | 114.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.140854 |
| Heavy Atoms | 8 |
| Complexity | 53.0 |
| Melting Point | -126.1 °C |
| Boiling Point | 111.90 °C. @ 760.00 mm Hg |
| Density | 0.7100 @ 20°C |
| Vapor Pressure | 28.6 [mmHg] |
Chemical Identifiers
| CAS Number | 563-16-6 |
|---|---|
| SMILES | CCCC(C)(C)CC |
| InChIKey | KUMXLFIBWFCMOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-二甲基己烷 (CAS 563-16-6), with molecular formula C8H18 and molecular weight 114.14 g/mol. IUPAC: 3,3-dimethylhexane.
Chemical Property Profile of 3,3-二甲基己烷
Property Insights of 3,3-二甲基己烷
The XLogP value of 4.1 indicates that 3,3-二甲基己烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-二甲基己烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二甲基己烷 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 3,3-二甲基己烷?
The CAS number of 3,3-二甲基己烷 is 563-16-6.
What is the molecular formula of 3,3-二甲基己烷?
The molecular formula of 3,3-二甲基己烷 is C8H18.
What is the molecular weight of 3,3-二甲基己烷?
The molecular weight of 3,3-二甲基己烷 is 114.14 g/mol.
Where can I buy 3,3-二甲基己烷?
You can request a quote for 3,3-二甲基己烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二甲基己烷?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基己烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.