3,5-Dimethyl-1,6-heptadiene
TL;DR: 3,5-Dimethyl-1,6-heptadiene (CAS 68701-99-5) 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.
3,5-dimethylhepta-1,6-diene
Also Known As: 3,5-Dimethyl-1,6-heptadiene, 3,5-dimethylhepta-1,6-diene, 1,6-Heptadiene, 3,5-dimethyl-, 3,5-Dimethyl-1,6-heptadiene #
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 68701-99-5 |
|---|---|
| SMILES | CC(CC(C)C=C)C=C |
| InChIKey | IILUPZLCNCGGHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-1,6-heptadiene (CAS 68701-99-5), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 3,5-dimethylhepta-1,6-diene.
Chemical Property Profile of 3,5-Dimethyl-1,6-heptadiene
Property Insights of 3,5-Dimethyl-1,6-heptadiene
The XLogP value of 3.6 indicates that 3,5-Dimethyl-1,6-heptadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Dimethyl-1,6-heptadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-1,6-heptadiene 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 3,5-Dimethyl-1,6-heptadiene?
The CAS number of 3,5-Dimethyl-1,6-heptadiene is 68701-99-5.
What is the molecular formula of 3,5-Dimethyl-1,6-heptadiene?
The molecular formula of 3,5-Dimethyl-1,6-heptadiene is C9H16.
What is the molecular weight of 3,5-Dimethyl-1,6-heptadiene?
The molecular weight of 3,5-Dimethyl-1,6-heptadiene is 124.13 g/mol.
Where can I buy 3,5-Dimethyl-1,6-heptadiene?
You can request a quote for 3,5-Dimethyl-1,6-heptadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1,6-heptadiene?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1,6-heptadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.