6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene

C22H30O2 — CID 71391497

IUPAC6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene
SMILESC=CC=CCC(C=C)=CCOC(C)OCC=C(C=C)CC=CC=C
InChIInChI=1S/C22H30O2/c1-6-10-12-14-21(8-3)16-18-23-20(5)24-19-17-22(9-4)15-13-11-7-2/h6-13,16-17,20H,1-4,14-15,18-19H2,5H3
InChIKeyRFWRGXDISGPUTE-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.86
Rot. Bonds14

About 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene

6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene (PubChem CID 71391497) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene.

Molecular Properties

Compound Name6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene
PubChem CID71391497
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene
SMILESC=CC=CCC(C=C)=CCOC(C)OCC=C(C=C)CC=CC=C
InChIInChI=1S/C22H30O2/c1-6-10-12-14-21(8-3)16-18-23-20(5)24-19-17-22(9-4)15-13-11-7-2/h6-13,16-17,20H,1-4,14-15,18-19H2,5H3
InChIKeyRFWRGXDISGPUTE-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene?
The IUPAC name of 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene (CID 71391497) is 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene.
What is the SMILES notation for 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene?
The canonical SMILES for 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene is C=CC=CCC(C=C)=CCOC(C)OCC=C(C=C)CC=CC=C.
What is the InChIKey of 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene?
The InChIKey is RFWRGXDISGPUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-6-10-12-14-21(8-3)16-18-23-20(5)24-19-17-22(9-4)15-13-11-7-2/h6-13,16-17,20H,1-4,14-15,18-19H2,5H3.
What are the key properties of 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene?
6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene has a molecular weight of 326.48 g/mol, XLogP of 5.86, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-8-[1-(3-ethenylocta-2,5,7-trienoxy)ethoxy]octa-1,3,6-triene is sourced from PubChem (CID 71391497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).