5-Methylhex-1-enylbenzene
TL;DR: 5-Methylhex-1-enylbenzene (CAS 86761-76-4) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylhex-1-enylbenzene
Also Known As: 5-methylhex-1-enylbenzene, [(E)-5-methylhex-1-enyl]benzene
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 86761-76-4 |
|---|---|
| SMILES | CC(C)CCC=CC1=CC=CC=C1 |
| InChIKey | HTGFAAXYUUHEAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylhex-1-enylbenzene (CAS 86761-76-4), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: 5-methylhex-1-enylbenzene.
Chemical Property Profile of 5-Methylhex-1-enylbenzene
Property Insights of 5-Methylhex-1-enylbenzene
The XLogP value of 4.7 indicates that 5-Methylhex-1-enylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Methylhex-1-enylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylhex-1-enylbenzene 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 5-Methylhex-1-enylbenzene?
The CAS number of 5-Methylhex-1-enylbenzene is 86761-76-4.
What is the molecular formula of 5-Methylhex-1-enylbenzene?
The molecular formula of 5-Methylhex-1-enylbenzene is C13H18.
What is the molecular weight of 5-Methylhex-1-enylbenzene?
The molecular weight of 5-Methylhex-1-enylbenzene is 174.14 g/mol.
Where can I buy 5-Methylhex-1-enylbenzene?
You can request a quote for 5-Methylhex-1-enylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylhex-1-enylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylhex-1-enylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.