Hexane, 3-ethyl-3-methyl-
TL;DR: Hexane, 3-ethyl-3-methyl- (CAS 3074-76-8) is a chemical compound with molecular formula C9H20 and molecular weight 128.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-methylhexane
Also Known As: 3-ETHYL-3-METHYLHEXANE, Hexane, 3-ethyl-3-methyl-, 3-Methyl-3-ethylhexane, 3-ethyl-3-methyl-hexane, Hexane,3-ethyl-3-methyl-
| Molecular Formula | C9H20 |
|---|---|
| Molecular Weight | 128.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.1565 |
| Heavy Atoms | 9 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 3074-76-8 |
|---|---|
| SMILES | CCCC(C)(CC)CC |
| InChIKey | CYWROHZCELEGSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexane, 3-ethyl-3-methyl- (CAS 3074-76-8), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 3-ethyl-3-methylhexane.
Chemical Property Profile of Hexane, 3-ethyl-3-methyl-
Property Insights of Hexane, 3-ethyl-3-methyl-
The XLogP value of 4.7 indicates that Hexane, 3-ethyl-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexane, 3-ethyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexane, 3-ethyl-3-methyl- 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 Hexane, 3-ethyl-3-methyl-?
The CAS number of Hexane, 3-ethyl-3-methyl- is 3074-76-8.
What is the molecular formula of Hexane, 3-ethyl-3-methyl-?
The molecular formula of Hexane, 3-ethyl-3-methyl- is C9H20.
What is the molecular weight of Hexane, 3-ethyl-3-methyl-?
The molecular weight of Hexane, 3-ethyl-3-methyl- is 128.16 g/mol.
Where can I buy Hexane, 3-ethyl-3-methyl-?
You can request a quote for Hexane, 3-ethyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane, 3-ethyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Hexane, 3-ethyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.