6-Methyl-3-heptene
TL;DR: 6-Methyl-3-heptene (CAS 3404-57-7) 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.
6-methylhept-3-ene
Also Known As: 6-methylhept-3-ene, 3-Heptene, 6-methyl-, 6-METHYL-3-HEPTENE, 3-Hexene, dimethyl-, (E)-, C8-H16
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.3 |
| 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 | 60.0 |
Chemical Identifiers
| CAS Number | 3404-57-7 |
|---|---|
| SMILES | CCC=CCC(C)C |
| InChIKey | PMPISKBGRHSPEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-3-heptene (CAS 3404-57-7), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 6-methylhept-3-ene.
Chemical Property Profile of 6-Methyl-3-heptene
Property Insights of 6-Methyl-3-heptene
The XLogP value of 3.3 indicates that 6-Methyl-3-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-3-heptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-3-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
Frequently Asked Questions
What is the CAS number of 6-Methyl-3-heptene?
The CAS number of 6-Methyl-3-heptene is 3404-57-7.
What is the molecular formula of 6-Methyl-3-heptene?
The molecular formula of 6-Methyl-3-heptene is C8H16.
What is the molecular weight of 6-Methyl-3-heptene?
The molecular weight of 6-Methyl-3-heptene is 112.13 g/mol.
Where can I buy 6-Methyl-3-heptene?
You can request a quote for 6-Methyl-3-heptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-3-heptene?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-heptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.