3,7-Dimethylocta-1,3,7-triene
TL;DR: 3,7-Dimethylocta-1,3,7-triene (CAS 502-99-8) 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.
3,7-dimethylocta-1,3,7-triene
Also Known As: alpha-Ocimene, cis-alpha-Ocimene, A-Ocimene, (Z)-alpha-ocimene, OCIMENE
| 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 | 4 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 502-99-8 |
|---|---|
| SMILES | CC(=C)CCC=C(C)C=C |
| InChIKey | XJPBRODHZKDRCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-1,3,7-triene (CAS 502-99-8), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: 3,7-dimethylocta-1,3,7-triene.
Chemical Property Profile of 3,7-Dimethylocta-1,3,7-triene
Property Insights of 3,7-Dimethylocta-1,3,7-triene
The XLogP value of 4.3 indicates that 3,7-Dimethylocta-1,3,7-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,7-Dimethylocta-1,3,7-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-1,3,7-triene 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 3,7-Dimethylocta-1,3,7-triene?
The CAS number of 3,7-Dimethylocta-1,3,7-triene is 502-99-8.
What is the molecular formula of 3,7-Dimethylocta-1,3,7-triene?
The molecular formula of 3,7-Dimethylocta-1,3,7-triene is C10H16.
What is the molecular weight of 3,7-Dimethylocta-1,3,7-triene?
The molecular weight of 3,7-Dimethylocta-1,3,7-triene is 136.13 g/mol.
Where can I buy 3,7-Dimethylocta-1,3,7-triene?
You can request a quote for 3,7-Dimethylocta-1,3,7-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethylocta-1,3,7-triene?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-1,3,7-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.