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

C16H28O12Si8 — CID 636115

IUPAC1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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=C[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si](C=C)(O1)O[Si]1(CC)O[Si](C=C)(O2)O[Si](CC)(O3)O[Si](C=C)(O4)O1
InChIInChI=1S/C16H28O12Si8/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/h9-13,16H,1-5,8,14-15H2,6-7H3
InChIKeyJSEIBNGWKQFTME-UHFFFAOYSA-N
MW637.08 g/mol
LogP2.16
Rot. Bonds8

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

1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 636115) has the molecular formula C16H28O12Si8 and a molecular weight of 637.08 g/mol. Its IUPAC name is 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 Name1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 CID636115
Molecular FormulaC16H28O12Si8
Molecular Weight637.08 g/mol
Exact Mass635.97
IUPAC Name1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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=C[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si](C=C)(O1)O[Si]1(CC)O[Si](C=C)(O2)O[Si](CC)(O3)O[Si](C=C)(O4)O1
InChIInChI=1S/C16H28O12Si8/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/h9-13,16H,1-5,8,14-15H2,6-7H3
InChIKeyJSEIBNGWKQFTME-UHFFFAOYSA-N
XLogP2.16
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.08
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 636115) is 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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=C[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si](C=C)(O1)O[Si]1(CC)O[Si](C=C)(O2)O[Si](CC)(O3)O[Si](C=C)(O4)O1.
What is the InChIKey of 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 JSEIBNGWKQFTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O12Si8/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/h9-13,16H,1-5,8,14-15H2,6-7H3.
What are the key properties of 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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?
1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 637.08 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,13-hexakis(ethenyl)-11,15-diethyl-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 636115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).