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

C48H104O12Si8 — CID 15328179

IUPAC1,3,5,7,9,11,13,15-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
SMILESCCCCCC[Si]12O[Si]3(CCCCCC)O[Si]4(CCCCCC)O[Si](CCCCCC)(O1)O[Si]1(CCCCCC)O[Si](CCCCCC)(O2)O[Si](CCCCCC)(O3)O[Si](CCCCCC)(O4)O1
InChIInChI=1S/C48H104O12Si8/c1-9-17-25-33-41-61-49-62(42-34-26-18-10-2)52-65(45-37-29-21-13-5)54-63(50-61,43-35-27-19-11-3)56-67(47-39-31-23-15-7)57-64(51-61,44-36-28-20-12-4)55-66(53-62,46-38-30-22-14-6)59-68(58-65,60-67)48-40-32-24-16-8/h9-48H2,1-8H3
InChIKeyKJHHEPLYJMCKBN-UHFFFAOYSA-N
MW1098.04 g/mol
LogP16.41
Rot. Bonds40

About 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

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 (PubChem CID 15328179) has the molecular formula C48H104O12Si8 and a molecular weight of 1098.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15-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
PubChem CID15328179
Molecular FormulaC48H104O12Si8
Molecular Weight1098.04 g/mol
Exact Mass1096.57
IUPAC Name1,3,5,7,9,11,13,15-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
SMILESCCCCCC[Si]12O[Si]3(CCCCCC)O[Si]4(CCCCCC)O[Si](CCCCCC)(O1)O[Si]1(CCCCCC)O[Si](CCCCCC)(O2)O[Si](CCCCCC)(O3)O[Si](CCCCCC)(O4)O1
InChIInChI=1S/C48H104O12Si8/c1-9-17-25-33-41-61-49-62(42-34-26-18-10-2)52-65(45-37-29-21-13-5)54-63(50-61,43-35-27-19-11-3)56-67(47-39-31-23-15-7)57-64(51-61,44-36-28-20-12-4)55-66(53-62,46-38-30-22-14-6)59-68(58-65,60-67)48-40-32-24-16-8/h9-48H2,1-8H3
InChIKeyKJHHEPLYJMCKBN-UHFFFAOYSA-N
XLogP16.41
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds40
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001098.04
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane, 1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-
CID 4524693
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
Octakis(tert-butyl)octasilsesquioxane
CID 139111891
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
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-Octaheptyl-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 15328180
1,3,5,7,9,11,13,15-Octakis-decyl-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 15328183
1,3,5,7,9,11,13,15-Octaheptyl-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 139040731
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
Octakis(1,1-dimethylpentyl)octasilsesquioxane
CID 139111893
1,3,5,7,9,11,13,15-Octaheptyl-2,4,6,8,10,12,14,16-octaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 139180645

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCC[Si]12O[Si]3(CCCCCC)O[Si]4(CCCCCC)O[Si](CCCCCC)(O1)O[Si]1(CCCCCC)O[Si](CCCCCC)(O2)O[Si](CCCCCC)(O3)O[Si](CCCCCC)(O4)O1.
What is the InChIKey of 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?
The InChIKey is KJHHEPLYJMCKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H104O12Si8/c1-9-17-25-33-41-61-49-62(42-34-26-18-10-2)52-65(45-37-29-21-13-5)54-63(50-61,43-35-27-19-11-3)56-67(47-39-31-23-15-7)57-64(51-61,44-36-28-20-12-4)55-66(53-62,46-38-30-22-14-6)59-68(58-65,60-67)48-40-32-24-16-8/h9-48H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1098.04 g/mol, XLogP of 16.41, 40 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-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 is sourced from PubChem (CID 15328179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).