Hexane, 3-methyl-4-methylene-
TL;DR: Hexane, 3-methyl-4-methylene- (CAS 3404-67-9) is a chemical compound with molecular formula C8H16 and molecular weight 112.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-methylidenehexane
Also Known As: 2-Ethyl-3-methyl-1-pentene, 3-Methyl-4-methylenehexane, Hexane, 3-methyl-4-methylene-, 3-methyl-4-methylidenehexane, 2-Ethyl-3-methylpentene-1
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 3404-67-9 |
|---|---|
| SMILES | CCC(C)C(=C)CC |
| InChIKey | YXLCVBVDFKWWRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexane, 3-methyl-4-methylene- (CAS 3404-67-9), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 3-methyl-4-methylidenehexane.
Chemical Property Profile of Hexane, 3-methyl-4-methylene-
Property Insights of Hexane, 3-methyl-4-methylene-
The XLogP value of 3.8 indicates that Hexane, 3-methyl-4-methylene- 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-methyl-4-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexane, 3-methyl-4-methylene- 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-methyl-4-methylene-?
The CAS number of Hexane, 3-methyl-4-methylene- is 3404-67-9.
What is the molecular formula of Hexane, 3-methyl-4-methylene-?
The molecular formula of Hexane, 3-methyl-4-methylene- is C8H16.
What is the molecular weight of Hexane, 3-methyl-4-methylene-?
The molecular weight of Hexane, 3-methyl-4-methylene- is 112.13 g/mol.
Where can I buy Hexane, 3-methyl-4-methylene-?
You can request a quote for Hexane, 3-methyl-4-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane, 3-methyl-4-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Hexane, 3-methyl-4-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.