6,6-Dimethylhepta-1,4-diene
TL;DR: 6,6-Dimethylhepta-1,4-diene (CAS 61077-49-4) 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.
6,6-dimethylhepta-1,4-diene
Also Known As: 6,6-dimethylhepta-1,4-diene, (4E)-6,6-dimethylhepta-1,4-diene
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 61077-49-4 |
|---|---|
| SMILES | CC(C)(C)C=CCC=C |
| InChIKey | ZGJKAUXKGMEHQL-UHFFFAOYSA-N |
Product Overview
6,6-Dimethylhepta-1,4-diene (CAS 61077-49-4), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 6,6-dimethylhepta-1,4-diene.
Chemical Property Profile of 6,6-Dimethylhepta-1,4-diene
Property Insights of 6,6-Dimethylhepta-1,4-diene
The XLogP value of 3.7 indicates that 6,6-Dimethylhepta-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, 6,6-Dimethylhepta-1,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-Dimethylhepta-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 6,6-Dimethylhepta-1,4-diene?
The CAS number of 6,6-Dimethylhepta-1,4-diene is 61077-49-4.
What is the molecular formula of 6,6-Dimethylhepta-1,4-diene?
The molecular formula of 6,6-Dimethylhepta-1,4-diene is C9H16.
What is the molecular weight of 6,6-Dimethylhepta-1,4-diene?
The molecular weight of 6,6-Dimethylhepta-1,4-diene is 124.13 g/mol.
Where can I buy 6,6-Dimethylhepta-1,4-diene?
You can request a quote for 6,6-Dimethylhepta-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 6,6-Dimethylhepta-1,4-diene?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethylhepta-1,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.