4-Methyl-1-pentene
TL;DR: 4-Methyl-1-pentene (CAS 691-37-2) is a chemical compound with molecular formula C6H12 and molecular weight 84.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpent-1-ene
Also Known As: 4-METHYL-1-PENTENE, 4-Methylpent-1-ene, Isobutylethene, 1-Pentene, 4-methyl-, Isohexene
| Molecular Formula | C6H12 |
|---|---|
| Molecular Weight | 84.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 84.0939 |
| Heavy Atoms | 6 |
| Complexity | 35.0 |
| Boiling Point | 127.4 to 54.0 °C at 760 mmHg |
| Density | 0.665 - Less dense than water; will float |
| Flash Point | -31.7 °C |
| Vapor Pressure | 438.93 mmHg |
Chemical Identifiers
| CAS Number | 691-37-2 |
|---|---|
| SMILES | CC(C)CC=C |
| InChIKey | WSSSPWUEQFSQQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1-pentene (CAS 691-37-2), with molecular formula C6H12 and molecular weight 84.09 g/mol. IUPAC: 4-methylpent-1-ene.
Chemical Property Profile of 4-Methyl-1-pentene
Property Insights of 4-Methyl-1-pentene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-pentene. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Methyl-1-pentene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-pentene 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 4-Methyl-1-pentene?
The CAS number of 4-Methyl-1-pentene is 691-37-2.
What is the molecular formula of 4-Methyl-1-pentene?
The molecular formula of 4-Methyl-1-pentene is C6H12.
What is the molecular weight of 4-Methyl-1-pentene?
The molecular weight of 4-Methyl-1-pentene is 84.09 g/mol.
Where can I buy 4-Methyl-1-pentene?
You can request a quote for 4-Methyl-1-pentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-pentene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-pentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.