1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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

C37H66O12Si8 — CID 4178494

IUPAC1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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
SMILESC=C[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1
InChIInChI=1S/C37H66O12Si8/c1-2-50-38-51(31-17-3-4-18-31)41-54(34-23-9-10-24-34)43-52(39-50,32-19-5-6-20-32)45-56(36-27-13-14-28-36)46-53(40-50,33-21-7-8-22-33)44-55(42-51,35-25-11-12-26-35)48-57(47-54,49-56)37-29-15-16-30-37/h2,31-37H,1,3-30H2
InChIKeyQDCWUTLAACGNPT-UHFFFAOYSA-N
MW927.61 g/mol
LogP10.10
Rot. Bonds8

About 1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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-heptacyclopentyl-15-ethenyl-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 4178494) has the molecular formula C37H66O12Si8 and a molecular weight of 927.61 g/mol. Its IUPAC name is 1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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-heptacyclopentyl-15-ethenyl-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 CID4178494
Molecular FormulaC37H66O12Si8
Molecular Weight927.61 g/mol
Exact Mass926.27
IUPAC Name1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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
SMILESC=C[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1
InChIInChI=1S/C37H66O12Si8/c1-2-50-38-51(31-17-3-4-18-31)41-54(34-23-9-10-24-34)43-52(39-50,32-19-5-6-20-32)45-56(36-27-13-14-28-36)46-53(40-50,33-21-7-8-22-33)44-55(42-51,35-25-11-12-26-35)48-57(47-54,49-56)37-29-15-16-30-37/h2,31-37H,1,3-30H2
InChIKeyQDCWUTLAACGNPT-UHFFFAOYSA-N
XLogP10.10
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.61
LogP ≤ 510.10
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-heptacyclopentyl-15-ethenyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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-heptacyclopentyl-15-ethenyl-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 4178494) is 1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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-heptacyclopentyl-15-ethenyl-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-heptacyclopentyl-15-ethenyl-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 C=C[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1.
What is the InChIKey of 1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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 QDCWUTLAACGNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66O12Si8/c1-2-50-38-51(31-17-3-4-18-31)41-54(34-23-9-10-24-34)43-52(39-50,32-19-5-6-20-32)45-56(36-27-13-14-28-36)46-53(40-50,33-21-7-8-22-33)44-55(42-51,35-25-11-12-26-35)48-57(47-54,49-56)37-29-15-16-30-37/h2,31-37H,1,3-30H2.
What are the key properties of 1,3,5,7,9,11,13-heptacyclopentyl-15-ethenyl-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-heptacyclopentyl-15-ethenyl-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 927.61 g/mol, XLogP of 10.10, 8 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-heptacyclopentyl-15-ethenyl-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 4178494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).