1,3,5,7,9,11,13-heptaethyl-15-methyl-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

C15H38O12Si8 — CID 636112

IUPAC1,3,5,7,9,11,13-heptaethyl-15-methyl-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
SMILESCC[Si]12O[Si]3(C)O[Si]4(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O2)O[Si](CC)(O3)O[Si](CC)(O4)O1
InChIInChI=1S/C15H38O12Si8/c1-9-29-16-28(8)17-30(10-2)21-32(12-4,19-29)25-35(15-7)26-33(13-5,20-29)22-31(11-3,18-28)24-34(14-6,23-30)27-35/h9-15H2,1-8H3
InChIKeyJVPPWGPFXKUUIZ-UHFFFAOYSA-N
MW635.15 g/mol
LogP3.53
Rot. Bonds7

About 1,3,5,7,9,11,13-heptaethyl-15-methyl-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

1,3,5,7,9,11,13-heptaethyl-15-methyl-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 636112) has the molecular formula C15H38O12Si8 and a molecular weight of 635.15 g/mol. Its IUPAC name is 1,3,5,7,9,11,13-heptaethyl-15-methyl-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 Name1,3,5,7,9,11,13-heptaethyl-15-methyl-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 CID636112
Molecular FormulaC15H38O12Si8
Molecular Weight635.15 g/mol
Exact Mass634.05
IUPAC Name1,3,5,7,9,11,13-heptaethyl-15-methyl-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
SMILESCC[Si]12O[Si]3(C)O[Si]4(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O2)O[Si](CC)(O3)O[Si](CC)(O4)O1
InChIInChI=1S/C15H38O12Si8/c1-9-29-16-28(8)17-30(10-2)21-32(12-4,19-29)25-35(15-7)26-33(13-5,20-29)22-31(11-3,18-28)24-34(14-6,23-30)27-35/h9-15H2,1-8H3
InChIKeyJVPPWGPFXKUUIZ-UHFFFAOYSA-N
XLogP3.53
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.15
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13-heptaethyl-15-methyl-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13-heptaethyl-15-methyl-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 1,3,5,7,9,11,13-heptaethyl-15-methyl-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 636112) is 1,3,5,7,9,11,13-heptaethyl-15-methyl-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 1,3,5,7,9,11,13-heptaethyl-15-methyl-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 1,3,5,7,9,11,13-heptaethyl-15-methyl-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 CC[Si]12O[Si]3(C)O[Si]4(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O2)O[Si](CC)(O3)O[Si](CC)(O4)O1.
What is the InChIKey of 1,3,5,7,9,11,13-heptaethyl-15-methyl-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 JVPPWGPFXKUUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O12Si8/c1-9-29-16-28(8)17-30(10-2)21-32(12-4,19-29)25-35(15-7)26-33(13-5,20-29)22-31(11-3,18-28)24-34(14-6,23-30)27-35/h9-15H2,1-8H3.
What are the key properties of 1,3,5,7,9,11,13-heptaethyl-15-methyl-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?
1,3,5,7,9,11,13-heptaethyl-15-methyl-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 635.15 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13-heptaethyl-15-methyl-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 636112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).