1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

C22H42O12Si8 — CID 90958460

IUPAC1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
SMILESC=Cc1ccc([Si]23O[Si]4(CC)O[Si]5(CC)O[Si]6(CC)O[Si](CC)(O4)O[Si](CC)(O[Si](CC)(O6)O[Si](CC)(O5)O2)O3)cc1
InChIInChI=1S/C22H42O12Si8/c1-9-21-17-19-22(20-18-21)42-32-39(14-6)26-36(11-3)23-35(10-2)24-37(12-4,28-39)30-41(16-8,34-42)31-38(13-5,25-35)29-40(15-7,27-36)33-42/h9,17-20H,1,10-16H2,2-8H3
InChIKeyYXQKILOJQGOLSG-UHFFFAOYSA-N
MW723.25 g/mol
LogP4.45
Rot. Bonds9

About 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane (PubChem CID 90958460) has the molecular formula C22H42O12Si8 and a molecular weight of 723.25 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
PubChem CID90958460
Molecular FormulaC22H42O12Si8
Molecular Weight723.25 g/mol
Exact Mass722.08
IUPAC Name1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
SMILESC=Cc1ccc([Si]23O[Si]4(CC)O[Si]5(CC)O[Si]6(CC)O[Si](CC)(O4)O[Si](CC)(O[Si](CC)(O6)O[Si](CC)(O5)O2)O3)cc1
InChIInChI=1S/C22H42O12Si8/c1-9-21-17-19-22(20-18-21)42-32-39(14-6)26-36(11-3)23-35(10-2)24-37(12-4,28-39)30-41(16-8,34-42)31-38(13-5,25-35)29-40(15-7,27-36)33-42/h9,17-20H,1,10-16H2,2-8H3
InChIKeyYXQKILOJQGOLSG-UHFFFAOYSA-N
XLogP4.45
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.25
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The IUPAC name of 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane (CID 90958460) is 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.
What is the SMILES notation for 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The canonical SMILES for 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane is C=Cc1ccc([Si]23O[Si]4(CC)O[Si]5(CC)O[Si]6(CC)O[Si](CC)(O4)O[Si](CC)(O[Si](CC)(O6)O[Si](CC)(O5)O2)O3)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The InChIKey is YXQKILOJQGOLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O12Si8/c1-9-21-17-19-22(20-18-21)42-32-39(14-6)26-36(11-3)23-35(10-2)24-37(12-4,28-39)30-41(16-8,34-42)31-38(13-5,25-35)29-40(15-7,27-36)33-42/h9,17-20H,1,10-16H2,2-8H3.
What are the key properties of 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane has a molecular weight of 723.25 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane is sourced from PubChem (CID 90958460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).