3-Isocyanato-3,7-dimethylocta-1,6-diene
TL;DR: 3-Isocyanato-3,7-dimethylocta-1,6-diene (CAS 67761-65-3) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanato-3,7-dimethylocta-1,6-diene
Also Known As: 3-isocyanato-3,7-dimethylocta-1,6-diene, 3-isocyanato-3,7-dimethyl-octa-1,6-diene, RefChem:280135
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 67761-65-3 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)N=C=O)C |
| InChIKey | VFCLJIWLHIZEMR-UHFFFAOYSA-N |
Product Overview
3-Isocyanato-3,7-dimethylocta-1,6-diene (CAS 67761-65-3), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 3-isocyanato-3,7-dimethylocta-1,6-diene.
Chemical Property Profile of 3-Isocyanato-3,7-dimethylocta-1,6-diene
Property Insights of 3-Isocyanato-3,7-dimethylocta-1,6-diene
The XLogP value of 4.4 indicates that 3-Isocyanato-3,7-dimethylocta-1,6-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 3-Isocyanato-3,7-dimethylocta-1,6-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyanato-3,7-dimethylocta-1,6-diene has 0 hydrogen bond donor(s) and 2 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-Isocyanato-3,7-dimethylocta-1,6-diene?
The CAS number of 3-Isocyanato-3,7-dimethylocta-1,6-diene is 67761-65-3.
What is the molecular formula of 3-Isocyanato-3,7-dimethylocta-1,6-diene?
The molecular formula of 3-Isocyanato-3,7-dimethylocta-1,6-diene is C11H17NO.
What is the molecular weight of 3-Isocyanato-3,7-dimethylocta-1,6-diene?
The molecular weight of 3-Isocyanato-3,7-dimethylocta-1,6-diene is 179.13 g/mol.
Where can I buy 3-Isocyanato-3,7-dimethylocta-1,6-diene?
You can request a quote for 3-Isocyanato-3,7-dimethylocta-1,6-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanato-3,7-dimethylocta-1,6-diene?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanato-3,7-dimethylocta-1,6-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.