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

C32H72O12Si8 — CID 15328177

IUPAC1,3,5,7,9,11,13,15-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
SMILESCCCC[Si]12O[Si]3(CCCC)O[Si]4(CCCC)O[Si](CCCC)(O1)O[Si]1(CCCC)O[Si](CCCC)(O2)O[Si](CCCC)(O3)O[Si](CCCC)(O4)O1
InChIInChI=1S/C32H72O12Si8/c1-9-17-25-45-33-46(26-18-10-2)36-49(29-21-13-5)38-47(34-45,27-19-11-3)40-51(31-23-15-7)41-48(35-45,28-20-12-4)39-50(37-46,30-22-14-6)43-52(42-49,44-51)32-24-16-8/h9-32H2,1-8H3
InChIKeyFTUWBFHTQLKNDK-UHFFFAOYSA-N
MW873.60 g/mol
LogP10.17
Rot. Bonds24

About 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

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 (PubChem CID 15328177) 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-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.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15-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
PubChem CID15328177
Molecular FormulaC32H72O12Si8
Molecular Weight873.60 g/mol
Exact Mass872.32
IUPAC Name1,3,5,7,9,11,13,15-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
SMILESCCCC[Si]12O[Si]3(CCCC)O[Si]4(CCCC)O[Si](CCCC)(O1)O[Si]1(CCCC)O[Si](CCCC)(O2)O[Si](CCCC)(O3)O[Si](CCCC)(O4)O1
InChIInChI=1S/C32H72O12Si8/c1-9-17-25-45-33-46(26-18-10-2)36-49(29-21-13-5)38-47(34-45,27-19-11-3)40-51(31-23-15-7)41-48(35-45,28-20-12-4)39-50(37-46,30-22-14-6)43-52(42-49,44-51)32-24-16-8/h9-32H2,1-8H3
InChIKeyFTUWBFHTQLKNDK-UHFFFAOYSA-N
XLogP10.17
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
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-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 with MolForge

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Related Compounds

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Pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane, 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-
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1,3,5,7,9,11,13,15-Octaoctyl-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 15328181
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CID 18967227
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CID 139111891
1 3 5 7 9 11-Octaisobutyltetracyclo
CID 5071479
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1,3,5,7,9,11,13,15-Octaethyl-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
CID 636111
Methylheptaethyloctasilsesquioxane
CID 636112
Perethyloctasilsesquioxane
CID 636149
1,3,5,7,9,11,13,15-Octaethyl-7,13-dihydrotetracyclo[9.5.1.1(3,9).1(5,1)5]octasiloxane
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC[Si]12O[Si]3(CCCC)O[Si]4(CCCC)O[Si](CCCC)(O1)O[Si]1(CCCC)O[Si](CCCC)(O2)O[Si](CCCC)(O3)O[Si](CCCC)(O4)O1.
What is the InChIKey of 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?
The InChIKey is FTUWBFHTQLKNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72O12Si8/c1-9-17-25-45-33-46(26-18-10-2)36-49(29-21-13-5)38-47(34-45,27-19-11-3)40-51(31-23-15-7)41-48(35-45,28-20-12-4)39-50(37-46,30-22-14-6)43-52(42-49,44-51)32-24-16-8/h9-32H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 873.60 g/mol, XLogP of 10.17, 24 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-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 is sourced from PubChem (CID 15328177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).