1,3,5,7,9,11,13,15-octatert-butyl-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

C32H72O12Si8 — CID 139111891

IUPAC1,3,5,7,9,11,13,15-octatert-butyl-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(C)(C)[Si]12O[Si]3(C(C)(C)C)O[Si]4(C(C)(C)C)O[Si](C(C)(C)C)(O1)O[Si]1(C(C)(C)C)O[Si](C(C)(C)C)(O2)O[Si](C(C)(C)C)(O3)O[Si](C(C)(C)C)(O4)O1
InChIInChI=1S/C32H72O12Si8/c1-25(2,3)45-33-46(26(4,5)6)36-49(29(13,14)15)38-47(34-45,27(7,8)9)40-51(31(19,20)21)41-48(35-45,28(10,11)12)39-50(37-46,30(16,17)18)43-52(42-49,44-51)32(22,23)24/h1-24H3
InChIKeyFFPYBEXPORJAPQ-UHFFFAOYSA-N
MW873.60 g/mol
LogP10.17
Rot. Bonds

About 1,3,5,7,9,11,13,15-octatert-butyl-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

1,3,5,7,9,11,13,15-octatert-butyl-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 139111891) has the molecular formula C32H72O12Si8 and a molecular weight of 873.60 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octatert-butyl-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 Name1,3,5,7,9,11,13,15-octatert-butyl-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 CID139111891
Molecular FormulaC32H72O12Si8
Molecular Weight873.60 g/mol
Exact Mass872.32
IUPAC Name1,3,5,7,9,11,13,15-octatert-butyl-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(C)(C)[Si]12O[Si]3(C(C)(C)C)O[Si]4(C(C)(C)C)O[Si](C(C)(C)C)(O1)O[Si]1(C(C)(C)C)O[Si](C(C)(C)C)(O2)O[Si](C(C)(C)C)(O3)O[Si](C(C)(C)C)(O4)O1
InChIInChI=1S/C32H72O12Si8/c1-25(2,3)45-33-46(26(4,5)6)36-49(29(13,14)15)38-47(34-45,27(7,8)9)40-51(31(19,20)21)41-48(35-45,28(10,11)12)39-50(37-46,30(16,17)18)43-52(42-49,44-51)32(22,23)24/h1-24H3
InChIKeyFFPYBEXPORJAPQ-UHFFFAOYSA-N
XLogP10.17
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.60
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13,15-octatert-butyl-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 4381659
Pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane, 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-
CID 4524693
Perethyloctasilsesquioxane
CID 636149
1,3,5,7,9,11,13,15-Octaisobutyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane-7,13-diol
CID 5071479
1,3,5,7,9,11,13,15-Octaethyl-7,13-dihydrotetracyclo[9.5.1.1(3,9).1(5,1)5]octasiloxane
CID 6330141
1,3,5,7,9,11,13,15-Octabutyl-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 15328177
1,3,5,7,9,11,13,15-Octahexyl-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 15328179
Hepta-tert.butyl-tricyclo(7.3.3.1(5,11))heptasiloxane-ende-endo-3,7,14-triol
CID 122212680
1,3,5,7,9,11,13,15-Octapentyl-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 139040732
1,3,5,7,9,11,13,15,17,19-Decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane
CID 139045096
Octakis(1,1-dimethylbutyl)octasilsesquioxane
CID 139111892
Octakis(1,1-dimethylpentyl)octasilsesquioxane
CID 139111893

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-octatert-butyl-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 1,3,5,7,9,11,13,15-octatert-butyl-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 139111891) is 1,3,5,7,9,11,13,15-octatert-butyl-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 1,3,5,7,9,11,13,15-octatert-butyl-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 1,3,5,7,9,11,13,15-octatert-butyl-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(C)(C)[Si]12O[Si]3(C(C)(C)C)O[Si]4(C(C)(C)C)O[Si](C(C)(C)C)(O1)O[Si]1(C(C)(C)C)O[Si](C(C)(C)C)(O2)O[Si](C(C)(C)C)(O3)O[Si](C(C)(C)C)(O4)O1.
What is the InChIKey of 1,3,5,7,9,11,13,15-octatert-butyl-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 FFPYBEXPORJAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72O12Si8/c1-25(2,3)45-33-46(26(4,5)6)36-49(29(13,14)15)38-47(34-45,27(7,8)9)40-51(31(19,20)21)41-48(35-45,28(10,11)12)39-50(37-46,30(16,17)18)43-52(42-49,44-51)32(22,23)24/h1-24H3.
What are the key properties of 1,3,5,7,9,11,13,15-octatert-butyl-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?
1,3,5,7,9,11,13,15-octatert-butyl-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 873.60 g/mol, XLogP of 10.17, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13,15-octatert-butyl-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 139111891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).