3,3,6-Trimethylhepta-1,4-diene
TL;DR: 3,3,6-Trimethylhepta-1,4-diene (CAS 74498-89-8) is a chemical compound with molecular formula C10H18 and molecular weight 138.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6-trimethylhepta-1,4-diene
Also Known As: 3,3,6-Trimethylhepta-1,4-diene, 3,3,6-Trimethyl-1,4-heptadiene, RefChem:270140
| Molecular Formula | C10H18 |
|---|---|
| Molecular Weight | 138.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.14085 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 74498-89-8 |
|---|---|
| SMILES | CC(C)C=CC(C)(C)C=C |
| InChIKey | VNYYXBHGXNAJED-UHFFFAOYSA-N |
Product Overview
3,3,6-Trimethylhepta-1,4-diene (CAS 74498-89-8), with molecular formula C10H18 and molecular weight 138.14 g/mol. IUPAC: 3,3,6-trimethylhepta-1,4-diene.
Chemical Property Profile of 3,3,6-Trimethylhepta-1,4-diene
Property Insights of 3,3,6-Trimethylhepta-1,4-diene
The XLogP value of 4.0 indicates that 3,3,6-Trimethylhepta-1,4-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3,6-Trimethylhepta-1,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,6-Trimethylhepta-1,4-diene 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 3,3,6-Trimethylhepta-1,4-diene?
The CAS number of 3,3,6-Trimethylhepta-1,4-diene is 74498-89-8.
What is the molecular formula of 3,3,6-Trimethylhepta-1,4-diene?
The molecular formula of 3,3,6-Trimethylhepta-1,4-diene is C10H18.
What is the molecular weight of 3,3,6-Trimethylhepta-1,4-diene?
The molecular weight of 3,3,6-Trimethylhepta-1,4-diene is 138.14 g/mol.
Where can I buy 3,3,6-Trimethylhepta-1,4-diene?
You can request a quote for 3,3,6-Trimethylhepta-1,4-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,6-Trimethylhepta-1,4-diene?
Yes, KEHONG BIO provides custom synthesis services for 3,3,6-Trimethylhepta-1,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.