2,5,5-Trimethyl-1,3,6-heptatriene
TL;DR: 2,5,5-Trimethyl-1,3,6-heptatriene (CAS 29548-02-5) is a chemical compound with molecular formula C10H16 and molecular weight 136.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,5-trimethylhepta-1,3,6-triene
Also Known As: Artemisia triene, 2,5,5-trimethyl-1,3,6-heptatriene
| Molecular Formula | C10H16 |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 29548-02-5 |
|---|---|
| SMILES | CC(=C)C=CC(C)(C)C=C |
| InChIKey | BYLJEQIUXOYKOB-UHFFFAOYSA-N |
Product Overview
2,5,5-Trimethyl-1,3,6-heptatriene (CAS 29548-02-5), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: 2,5,5-trimethylhepta-1,3,6-triene.
Chemical Property Profile of 2,5,5-Trimethyl-1,3,6-heptatriene
Property Insights of 2,5,5-Trimethyl-1,3,6-heptatriene
The XLogP value of 4.3 indicates that 2,5,5-Trimethyl-1,3,6-heptatriene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,5,5-Trimethyl-1,3,6-heptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,5-Trimethyl-1,3,6-heptatriene 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 2,5,5-Trimethyl-1,3,6-heptatriene?
The CAS number of 2,5,5-Trimethyl-1,3,6-heptatriene is 29548-02-5.
What is the molecular formula of 2,5,5-Trimethyl-1,3,6-heptatriene?
The molecular formula of 2,5,5-Trimethyl-1,3,6-heptatriene is C10H16.
What is the molecular weight of 2,5,5-Trimethyl-1,3,6-heptatriene?
The molecular weight of 2,5,5-Trimethyl-1,3,6-heptatriene is 136.13 g/mol.
Where can I buy 2,5,5-Trimethyl-1,3,6-heptatriene?
You can request a quote for 2,5,5-Trimethyl-1,3,6-heptatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,5-Trimethyl-1,3,6-heptatriene?
Yes, KEHONG BIO provides custom synthesis services for 2,5,5-Trimethyl-1,3,6-heptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.