1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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

CH7O19Si8-3 — CID 148952903

IUPAC1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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[Si]12O[Si]3([O-])O[Si]4([O-])O[Si]([O-])(O1)O[Si]1(O)O[Si](O)(O2)O[Si](O)(O3)O[Si](O)(O4)O1
InChIInChI=1S/CH7O19Si8/c1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27/h2,5-6,8H,1H3/q-3
InChIKeyPQHHOZAIZUVTDG-UHFFFAOYSA-N
MW547.74 g/mol
LogP-9.08
Rot. Bonds

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

1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 148952903) has the molecular formula CH7O19Si8-3 and a molecular weight of 547.74 g/mol. Its IUPAC name is 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 Name1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 CID148952903
Molecular FormulaCH7O19Si8-3
Molecular Weight547.74 g/mol
Exact Mass546.78
IUPAC Name1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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[Si]12O[Si]3([O-])O[Si]4([O-])O[Si]([O-])(O1)O[Si]1(O)O[Si](O)(O2)O[Si](O)(O3)O[Si](O)(O4)O1
InChIInChI=1S/CH7O19Si8/c1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27/h2,5-6,8H,1H3/q-3
InChIKeyPQHHOZAIZUVTDG-UHFFFAOYSA-N
XLogP-9.08
TPSA260.86 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.74
LogP ≤ 5-9.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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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CID 163466917
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2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46,48,48,50,50,52,52,54,54,56,56,58,58-octapentacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosasilacyclooctapentacontane
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Frequently Asked Questions

What is the IUPAC name of 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 148952903) is 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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[Si]12O[Si]3([O-])O[Si]4([O-])O[Si]([O-])(O1)O[Si]1(O)O[Si](O)(O2)O[Si](O)(O3)O[Si](O)(O4)O1.
What is the InChIKey of 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 PQHHOZAIZUVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH7O19Si8/c1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27/h2,5-6,8H,1H3/q-3.
What are the key properties of 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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?
1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 547.74 g/mol, XLogP of -9.08, 0 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,15-tetrahydroxy-7-methyl-9,11,13-trioxido-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 148952903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).