1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane

C12H30O9Si6 — CID 635195

IUPAC1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane
SMILESCC[Si]12O[Si]3(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O[Si](CC)(O1)O3)O2
InChIInChI=1S/C12H30O9Si6/c1-7-22-13-23(8-2)15-24(9-3,14-22)21-27(12-6)17-25(10-4,19-22)16-26(11-5,18-27)20-23/h7-12H2,1-6H3
InChIKeyFAPDXURZNTZFCW-UHFFFAOYSA-N
MW486.88 g/mol
LogP2.94
Rot. Bonds6

About 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane

1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane (PubChem CID 635195) has the molecular formula C12H30O9Si6 and a molecular weight of 486.88 g/mol. Its IUPAC name is 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane.

Molecular Properties

Compound Name1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane
PubChem CID635195
Molecular FormulaC12H30O9Si6
Molecular Weight486.88 g/mol
Exact Mass486.05
IUPAC Name1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane
SMILESCC[Si]12O[Si]3(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O[Si](CC)(O1)O3)O2
InChIInChI=1S/C12H30O9Si6/c1-7-22-13-23(8-2)15-24(9-3,14-22)21-27(12-6)17-25(10-4,19-22)16-26(11-5,18-27)20-23/h7-12H2,1-6H3
InChIKeyFAPDXURZNTZFCW-UHFFFAOYSA-N
XLogP2.94
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.88
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane?
The IUPAC name of 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane (CID 635195) is 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane.
What is the SMILES notation for 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane?
The canonical SMILES for 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane is CC[Si]12O[Si]3(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)(O[Si](CC)(O1)O3)O2.
What is the InChIKey of 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane?
The InChIKey is FAPDXURZNTZFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O9Si6/c1-7-22-13-23(8-2)15-24(9-3,14-22)21-27(12-6)17-25(10-4,19-22)16-26(11-5,18-27)20-23/h7-12H2,1-6H3.
What are the key properties of 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane?
1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane has a molecular weight of 486.88 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11-hexaethyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane is sourced from PubChem (CID 635195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).