1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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

C31H68O12Si8 — CID 4638355

IUPAC1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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=CC[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1
InChIInChI=1S/C31H68O12Si8/c1-16-17-44-32-45(18-25(2)3)35-48(21-28(8)9)37-46(33-44,19-26(4)5)39-50(23-30(12)13)40-47(34-44,20-27(6)7)38-49(36-45,22-29(10)11)42-51(41-48,43-50)24-31(14)15/h16,25-31H,1,17-24H2,2-15H3
InChIKeyPSHVSOPQXBHADK-UHFFFAOYSA-N
MW857.56 g/mol
LogP8.54
Rot. Bonds16

About 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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-heptakis(2-methylpropyl)-15-prop-2-enyl-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 4638355) has the molecular formula C31H68O12Si8 and a molecular weight of 857.56 g/mol. Its IUPAC name is 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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-heptakis(2-methylpropyl)-15-prop-2-enyl-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 CID4638355
Molecular FormulaC31H68O12Si8
Molecular Weight857.56 g/mol
Exact Mass856.29
IUPAC Name1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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=CC[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1
InChIInChI=1S/C31H68O12Si8/c1-16-17-44-32-45(18-25(2)3)35-48(21-28(8)9)37-46(33-44,19-26(4)5)39-50(23-30(12)13)40-47(34-44,20-27(6)7)38-49(36-45,22-29(10)11)42-51(41-48,43-50)24-31(14)15/h16,25-31H,1,17-24H2,2-15H3
InChIKeyPSHVSOPQXBHADK-UHFFFAOYSA-N
XLogP8.54
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.56
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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-heptakis(2-methylpropyl)-15-prop-2-enyl-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 4638355) is 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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-heptakis(2-methylpropyl)-15-prop-2-enyl-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-heptakis(2-methylpropyl)-15-prop-2-enyl-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=CC[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1.
What is the InChIKey of 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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 PSHVSOPQXBHADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H68O12Si8/c1-16-17-44-32-45(18-25(2)3)35-48(21-28(8)9)37-46(33-44,19-26(4)5)39-50(23-30(12)13)40-47(34-44,20-27(6)7)38-49(36-45,22-29(10)11)42-51(41-48,43-50)24-31(14)15/h16,25-31H,1,17-24H2,2-15H3.
What are the key properties of 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-prop-2-enyl-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-heptakis(2-methylpropyl)-15-prop-2-enyl-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 857.56 g/mol, XLogP of 8.54, 16 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-heptakis(2-methylpropyl)-15-prop-2-enyl-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 4638355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).