5-Methylhepta-1,3,6-triene
TL;DR: 5-Methylhepta-1,3,6-triene (CAS 925-52-0) is a chemical compound with molecular formula CC(C=C)C=CC=C and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylhepta-1,3,6-triene
Also Known As: 5-methyl-1,3,6-heptatriene, 5-methylhepta-1,3,6-triene, CH2=CHCH=CHCH(CH3)CH=CH2
| Molecular Formula | CC(C=C)C=CC=C |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 925-52-0 |
|---|---|
| SMILES | CC(C=C)C=CC=C |
| InChIKey | NDRUXLROLQGDNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylhepta-1,3,6-triene (CAS 925-52-0), with molecular formula CC(C=C)C=CC=C and molecular weight 108.09 g/mol. IUPAC: 5-methylhepta-1,3,6-triene.
Chemical Property Profile of 5-Methylhepta-1,3,6-triene
Property Insights of 5-Methylhepta-1,3,6-triene
The XLogP value of 3.1 indicates that 5-Methylhepta-1,3,6-triene 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-Methylhepta-1,3,6-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylhepta-1,3,6-triene 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-Methylhepta-1,3,6-triene?
The CAS number of 5-Methylhepta-1,3,6-triene is 925-52-0.
What is the molecular formula of 5-Methylhepta-1,3,6-triene?
The molecular formula of 5-Methylhepta-1,3,6-triene is CC(C=C)C=CC=C.
What is the molecular weight of 5-Methylhepta-1,3,6-triene?
The molecular weight of 5-Methylhepta-1,3,6-triene is 108.09 g/mol.
Where can I buy 5-Methylhepta-1,3,6-triene?
You can request a quote for 5-Methylhepta-1,3,6-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylhepta-1,3,6-triene?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylhepta-1,3,6-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.