1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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

C12H32O12Si8 — CID 635992

IUPAC1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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
SMILESCC[Si]12O[Si]3(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](CC)(O1)O[Si](CC)(O5)O[Si](CC)(O4)O2
InChIInChI=1S/C12H32O12Si8/c1-9-29-17-25(5)13-26(6)15-28(8)16-27(7,14-25)19-31(11-3,22-29)24-32(12-4,20-28)23-30(10-2,18-26)21-29/h9-12H2,1-8H3
InChIKeyWVNGZNGCCPJIJR-UHFFFAOYSA-N
MW593.06 g/mol
LogP2.36
Rot. Bonds4

About 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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

1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 635992) has the molecular formula C12H32O12Si8 and a molecular weight of 593.06 g/mol. Its IUPAC name is 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 Name1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 CID635992
Molecular FormulaC12H32O12Si8
Molecular Weight593.06 g/mol
Exact Mass592.00
IUPAC Name1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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
SMILESCC[Si]12O[Si]3(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](CC)(O1)O[Si](CC)(O5)O[Si](CC)(O4)O2
InChIInChI=1S/C12H32O12Si8/c1-9-29-17-25(5)13-26(6)15-28(8)16-27(7,14-25)19-31(11-3,22-29)24-32(12-4,20-28)23-30(10-2,18-26)21-29/h9-12H2,1-8H3
InChIKeyWVNGZNGCCPJIJR-UHFFFAOYSA-N
XLogP2.36
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.06
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 635992) is 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 CC[Si]12O[Si]3(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](CC)(O1)O[Si](CC)(O5)O[Si](CC)(O4)O2.
What is the InChIKey of 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 WVNGZNGCCPJIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32O12Si8/c1-9-29-17-25(5)13-26(6)15-28(8)16-27(7,14-25)19-31(11-3,22-29)24-32(12-4,20-28)23-30(10-2,18-26)21-29/h9-12H2,1-8H3.
What are the key properties of 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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?
1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 593.06 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,15-tetraethyl-7,9,11,13-tetramethyl-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 635992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).