Spiro(4.4)nona-1,3,6-triene
TL;DR: Spiro(4.4)nona-1,3,6-triene (CAS 766-30-3) is a chemical compound with molecular formula C1CC2(C=C1)C=CC=C2 and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[4.4]nona-1,3,8-triene
Also Known As: Spiro(4.4)nona-1,3,6-triene, Spiro[4.4]nona-1,3,6-triene, Spiro<4.4>nona-1,3,6-trien, spiro[4.4]nona-3,6,8-triene, RefChem:380878
| Molecular Formula | C1CC2(C=C1)C=CC=C2 |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.07825 |
| Heavy Atoms | 9 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 766-30-3 |
|---|---|
| SMILES | C1CC2(C=C1)C=CC=C2 |
| InChIKey | XBYHECVQHVXVGQ-UHFFFAOYSA-N |
Product Overview
Spiro(4.4)nona-1,3,6-triene (CAS 766-30-3), with molecular formula C1CC2(C=C1)C=CC=C2 and molecular weight 118.08 g/mol. IUPAC: spiro[4.4]nona-1,3,8-triene.
Chemical Property Profile of Spiro(4.4)nona-1,3,6-triene
Property Insights of Spiro(4.4)nona-1,3,6-triene
The XLogP value of 3.1 indicates that Spiro(4.4)nona-1,3,6-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, Spiro(4.4)nona-1,3,6-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(4.4)nona-1,3,6-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 Spiro(4.4)nona-1,3,6-triene?
The CAS number of Spiro(4.4)nona-1,3,6-triene is 766-30-3.
What is the molecular formula of Spiro(4.4)nona-1,3,6-triene?
The molecular formula of Spiro(4.4)nona-1,3,6-triene is C1CC2(C=C1)C=CC=C2.
What is the molecular weight of Spiro(4.4)nona-1,3,6-triene?
The molecular weight of Spiro(4.4)nona-1,3,6-triene is 118.08 g/mol.
Where can I buy Spiro(4.4)nona-1,3,6-triene?
You can request a quote for Spiro(4.4)nona-1,3,6-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(4.4)nona-1,3,6-triene?
Yes, KEHONG BIO provides custom synthesis services for Spiro(4.4)nona-1,3,6-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.