1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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

C16H23O12Si8+ — CID 134830985

IUPAC1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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
SMILES[H]/[C+]=C/[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si]5(C=C)O[Si](C=C)(O3)O[Si](C=C)(O[Si](C=C)(O5)O[Si](C=C)(O4)O1)O2
InChIInChI=1S/C16H23O12Si8/c1-9-29-17-30(10-2)20-33(13-5)22-31(11-3,18-29)24-35(15-7)25-32(12-4,19-29)23-34(14-6,21-30)27-36(16-8,26-33)28-35/h1,9-16H,2-8H2/q+1
InChIKeyYIRZQPXILGUYBV-UHFFFAOYSA-N
MW632.04 g/mol
LogP1.37
Rot. Bonds8

About 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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

1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 134830985) has the molecular formula C16H23O12Si8+ and a molecular weight of 632.04 g/mol. Its IUPAC name is 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 Name1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 CID134830985
Molecular FormulaC16H23O12Si8+
Molecular Weight632.04 g/mol
Exact Mass630.93
IUPAC Name1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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
SMILES[H]/[C+]=C/[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si]5(C=C)O[Si](C=C)(O3)O[Si](C=C)(O[Si](C=C)(O5)O[Si](C=C)(O4)O1)O2
InChIInChI=1S/C16H23O12Si8/c1-9-29-17-30(10-2)20-33(13-5)22-31(11-3,18-29)24-35(15-7)25-32(12-4,19-29)23-34(14-6,21-30)27-36(16-8,26-33)28-35/h1,9-16H,2-8H2/q+1
InChIKeyYIRZQPXILGUYBV-UHFFFAOYSA-N
XLogP1.37
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.04
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 134830985) is 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 [H]/[C+]=C/[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si]5(C=C)O[Si](C=C)(O3)O[Si](C=C)(O[Si](C=C)(O5)O[Si](C=C)(O4)O1)O2.
What is the InChIKey of 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 YIRZQPXILGUYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O12Si8/c1-9-29-17-30(10-2)20-33(13-5)22-31(11-3,18-29)24-35(15-7)25-32(12-4,19-29)23-34(14-6,21-30)27-36(16-8,26-33)28-35/h1,9-16H,2-8H2/q+1.
What are the key properties of 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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?
1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 632.04 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,15-heptakis(ethenyl)-13-ethenyl-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 134830985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).