3,3,5-Trimethyl-1,4-hexadiene
TL;DR: 3,3,5-Trimethyl-1,4-hexadiene (CAS 74753-00-7) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-trimethylhexa-1,4-diene
Also Known As: 3,3,5-trimethylhexa-1,4-diene, 3,3,5-Trimethyl-1,4-hexadiene, 1,4-Hexadiene,3,3,5-trimet, 1,4-Hexadiene, 3,3,5-trimethyl-, 3,3,5-Trimethyl-1,4-hexadiene #
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 74753-00-7 |
|---|---|
| SMILES | CC(=CC(C)(C)C=C)C |
| InChIKey | XIYUSFMHYQBGNB-UHFFFAOYSA-N |
Product Overview
3,3,5-Trimethyl-1,4-hexadiene (CAS 74753-00-7), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 3,3,5-trimethylhexa-1,4-diene.
Chemical Property Profile of 3,3,5-Trimethyl-1,4-hexadiene
Property Insights of 3,3,5-Trimethyl-1,4-hexadiene
The XLogP value of 3.9 indicates that 3,3,5-Trimethyl-1,4-hexadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3,5-Trimethyl-1,4-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethyl-1,4-hexadiene 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 3,3,5-Trimethyl-1,4-hexadiene?
The CAS number of 3,3,5-Trimethyl-1,4-hexadiene is 74753-00-7.
What is the molecular formula of 3,3,5-Trimethyl-1,4-hexadiene?
The molecular formula of 3,3,5-Trimethyl-1,4-hexadiene is C9H16.
What is the molecular weight of 3,3,5-Trimethyl-1,4-hexadiene?
The molecular weight of 3,3,5-Trimethyl-1,4-hexadiene is 124.13 g/mol.
Where can I buy 3,3,5-Trimethyl-1,4-hexadiene?
You can request a quote for 3,3,5-Trimethyl-1,4-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-Trimethyl-1,4-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethyl-1,4-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.