6-Methyl-1-heptene
TL;DR: 6-Methyl-1-heptene (CAS 5026-76-6) is a chemical compound with molecular formula C8H16 and molecular weight 112.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylhept-1-ene
Also Known As: 6-methylhept-1-ene, Isooctene, 6-METHYL-1-HEPTENE, 1-Heptene, 6-methyl-, Isocaprylenes
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16 |
| Molecular Weight | 112.1252 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.1252 Da |
| Heavy Atoms | 8 |
| Complexity | 53.0 |
| Flash Point | less than 20 °F (NFPA, 2010) |
| Vapor Pressure | 25.2 [mmHg] |
| SMILES | CC(C)CCCC=C |
| InChIKey | DFVOXRAAHOJJBN-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-1-heptene
Property Insights of 6-Methyl-1-heptene
The XLogP value of 3.7 indicates that 6-Methyl-1-heptene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 6-Methyl-1-heptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-1-heptene 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
What is the CAS number of 6-Methyl-1-heptene?
The CAS number of 6-Methyl-1-heptene is 5026-76-6.
What is the molecular formula of 6-Methyl-1-heptene?
The molecular formula of 6-Methyl-1-heptene is C8H16.
What is the molecular weight of 6-Methyl-1-heptene?
The molecular weight of 6-Methyl-1-heptene is 112.1252 g/mol.
Where can I buy 6-Methyl-1-heptene?
You can request a quote for 6-Methyl-1-heptene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-1-heptene?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-1-heptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.