3-Methyl-2-hexene
TL;DR: 3-Methyl-2-hexene (CAS 17618-77-8) is a chemical compound with molecular formula C7H14 and molecular weight 98.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhex-2-ene
Also Known As: 3-METHYL-2-HEXENE, 3-methylhex-2-ene, 2-Hexene, 3-methyl-, RefChem:503664
| Molecular Formula | C7H14 |
|---|---|
| Molecular Weight | 98.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.10955 |
| Heavy Atoms | 7 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 17618-77-8 |
|---|---|
| SMILES | CCCC(=CC)C |
| InChIKey | JZMUUSXQSKCZNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-hexene (CAS 17618-77-8), with molecular formula C7H14 and molecular weight 98.11 g/mol. IUPAC: 3-methylhex-2-ene.
Chemical Property Profile of 3-Methyl-2-hexene
Property Insights of 3-Methyl-2-hexene
The XLogP value of 3.3 indicates that 3-Methyl-2-hexene 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-Methyl-2-hexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-hexene 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-Methyl-2-hexene?
The CAS number of 3-Methyl-2-hexene is 17618-77-8.
What is the molecular formula of 3-Methyl-2-hexene?
The molecular formula of 3-Methyl-2-hexene is C7H14.
What is the molecular weight of 3-Methyl-2-hexene?
The molecular weight of 3-Methyl-2-hexene is 98.11 g/mol.
Where can I buy 3-Methyl-2-hexene?
You can request a quote for 3-Methyl-2-hexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-hexene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-hexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.