1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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

C12H32O16Si8 — CID 164708987

IUPAC1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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
SMILESCCC[Si]12O[Si]3(O)O[Si]4(O)O[Si](O)(O1)O[Si]1(CCC)O[Si](O)(O2)O[Si](CCC)(O3)O[Si](CCC)(O4)O1
InChIInChI=1S/C12H32O16Si8/c1-5-9-29-17-30(10-6-2)20-33(13)21-31(18-29,11-7-3)23-35(15)26-32(24-33,12-8-4)25-34(14,22-30)27-36(16,19-29)28-35/h13-16H,5-12H2,1-4H3
InChIKeyDWQYRQANMFDHOM-UHFFFAOYSA-N
MW657.06 g/mol
LogP-0.64
Rot. Bonds8

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

1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 164708987) has the molecular formula C12H32O16Si8 and a molecular weight of 657.06 g/mol. Its IUPAC name is 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 Name1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 CID164708987
Molecular FormulaC12H32O16Si8
Molecular Weight657.06 g/mol
Exact Mass655.98
IUPAC Name1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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
SMILESCCC[Si]12O[Si]3(O)O[Si]4(O)O[Si](O)(O1)O[Si]1(CCC)O[Si](O)(O2)O[Si](CCC)(O3)O[Si](CCC)(O4)O1
InChIInChI=1S/C12H32O16Si8/c1-5-9-29-17-30(10-6-2)20-33(13)21-31(18-29,11-7-3)23-35(15)26-32(24-33,12-8-4)25-34(14,22-30)27-36(16,19-29)28-35/h13-16H,5-12H2,1-4H3
InChIKeyDWQYRQANMFDHOM-UHFFFAOYSA-N
XLogP-0.64
TPSA191.68 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.06
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 164708987) is 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 CCC[Si]12O[Si]3(O)O[Si]4(O)O[Si](O)(O1)O[Si]1(CCC)O[Si](O)(O2)O[Si](CCC)(O3)O[Si](CCC)(O4)O1.
What is the InChIKey of 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 DWQYRQANMFDHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32O16Si8/c1-5-9-29-17-30(10-6-2)20-33(13)21-31(18-29,11-7-3)23-35(15)26-32(24-33,12-8-4)25-34(14,22-30)27-36(16,19-29)28-35/h13-16H,5-12H2,1-4H3.
What are the key properties of 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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?
1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 657.06 g/mol, XLogP of -0.64, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,13-tetrahydroxy-7,9,11,15-tetrapropyl-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 164708987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).