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

C80H168O12Si8 — CID 15328183

IUPAC1,3,5,7,9,11,13,15-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
SMILESCCCCCCCCCC[Si]12O[Si]3(CCCCCCCCCC)O[Si]4(CCCCCCCCCC)O[Si](CCCCCCCCCC)(O1)O[Si]1(CCCCCCCCCC)O[Si](CCCCCCCCCC)(O2)O[Si](CCCCCCCCCC)(O3)O[Si](CCCCCCCCCC)(O4)O1
InChIInChI=1S/C80H168O12Si8/c1-9-17-25-33-41-49-57-65-73-93-81-94(74-66-58-50-42-34-26-18-10-2)84-97(77-69-61-53-45-37-29-21-13-5)86-95(82-93,75-67-59-51-43-35-27-19-11-3)88-99(79-71-63-55-47-39-31-23-15-7)89-96(83-93,76-68-60-52-44-36-28-20-12-4)87-98(85-94,78-70-62-54-46-38-30-22-14-6)91-100(90-97,92-99)80-72-64-56-48-40-32-24-16-8/h9-80H2,1-8H3
InChIKeyJTEFAUFAGIHIQY-UHFFFAOYSA-N
MW1546.90 g/mol
LogP28.89
Rot. Bonds72

About 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

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 (PubChem CID 15328183) has the molecular formula C80H168O12Si8 and a molecular weight of 1546.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15-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
PubChem CID15328183
Molecular FormulaC80H168O12Si8
Molecular Weight1546.90 g/mol
Exact Mass1545.07
IUPAC Name1,3,5,7,9,11,13,15-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
SMILESCCCCCCCCCC[Si]12O[Si]3(CCCCCCCCCC)O[Si]4(CCCCCCCCCC)O[Si](CCCCCCCCCC)(O1)O[Si]1(CCCCCCCCCC)O[Si](CCCCCCCCCC)(O2)O[Si](CCCCCCCCCC)(O3)O[Si](CCCCCCCCCC)(O4)O1
InChIInChI=1S/C80H168O12Si8/c1-9-17-25-33-41-49-57-65-73-93-81-94(74-66-58-50-42-34-26-18-10-2)84-97(77-69-61-53-45-37-29-21-13-5)86-95(82-93,75-67-59-51-43-35-27-19-11-3)88-99(79-71-63-55-47-39-31-23-15-7)89-96(83-93,76-68-60-52-44-36-28-20-12-4)87-98(85-94,78-70-62-54-46-38-30-22-14-6)91-100(90-97,92-99)80-72-64-56-48-40-32-24-16-8/h9-80H2,1-8H3
InChIKeyJTEFAUFAGIHIQY-UHFFFAOYSA-N
XLogP28.89
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds72
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001546.90
LogP ≤ 528.89
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-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 with MolForge

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Related Compounds

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
Tetramethyltetraoctylcyclotetrasiloxane
CID 21700548
Hexadecylcyclotetrasiloxane
CID 171771447
2,4,6,8-Tetradodecyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 85579858
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
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-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
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
2,2,4,4-Tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 21296303
2,2,4,4-Tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 21296304

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCC[Si]12O[Si]3(CCCCCCCCCC)O[Si]4(CCCCCCCCCC)O[Si](CCCCCCCCCC)(O1)O[Si]1(CCCCCCCCCC)O[Si](CCCCCCCCCC)(O2)O[Si](CCCCCCCCCC)(O3)O[Si](CCCCCCCCCC)(O4)O1.
What is the InChIKey of 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?
The InChIKey is JTEFAUFAGIHIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H168O12Si8/c1-9-17-25-33-41-49-57-65-73-93-81-94(74-66-58-50-42-34-26-18-10-2)84-97(77-69-61-53-45-37-29-21-13-5)86-95(82-93,75-67-59-51-43-35-27-19-11-3)88-99(79-71-63-55-47-39-31-23-15-7)89-96(83-93,76-68-60-52-44-36-28-20-12-4)87-98(85-94,78-70-62-54-46-38-30-22-14-6)91-100(90-97,92-99)80-72-64-56-48-40-32-24-16-8/h9-80H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1546.90 g/mol, XLogP of 28.89, 72 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-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 is sourced from PubChem (CID 15328183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).