1,3,5,7,9-pentaethyl-11,13,15-trimethyl-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

C13H34O12Si8 — CID 636040

IUPAC1,3,5,7,9-pentaethyl-11,13,15-trimethyl-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](C)(O1)O[Si]1(CC)O[Si](CC)(O4)O[Si](CC)(O3)O[Si](CC)(O2)O1
InChIInChI=1S/C13H34O12Si8/c1-9-29-17-27(7)14-26(6)15-28(8,18-29)20-32(12-4)23-30(10-2,16-26)22-31(11-3,19-27)24-33(13-5,21-29)25-32/h9-13H2,1-8H3
InChIKeyVNYHHLSOWZOWTF-UHFFFAOYSA-N
MW607.09 g/mol
LogP2.75
Rot. Bonds5

About 1,3,5,7,9-pentaethyl-11,13,15-trimethyl-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-pentaethyl-11,13,15-trimethyl-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 636040) has the molecular formula C13H34O12Si8 and a molecular weight of 607.09 g/mol. Its IUPAC name is 1,3,5,7,9-pentaethyl-11,13,15-trimethyl-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-pentaethyl-11,13,15-trimethyl-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 CID636040
Molecular FormulaC13H34O12Si8
Molecular Weight607.09 g/mol
Exact Mass606.02
IUPAC Name1,3,5,7,9-pentaethyl-11,13,15-trimethyl-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](C)(O1)O[Si]1(CC)O[Si](CC)(O4)O[Si](CC)(O3)O[Si](CC)(O2)O1
InChIInChI=1S/C13H34O12Si8/c1-9-29-17-27(7)14-26(6)15-28(8,18-29)20-32(12-4)23-30(10-2,16-26)22-31(11-3,19-27)24-33(13-5,21-29)25-32/h9-13H2,1-8H3
InChIKeyVNYHHLSOWZOWTF-UHFFFAOYSA-N
XLogP2.75
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.09
LogP ≤ 52.75
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-pentaethyl-11,13,15-trimethyl-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-pentaethyl-11,13,15-trimethyl-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-pentaethyl-11,13,15-trimethyl-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 636040) is 1,3,5,7,9-pentaethyl-11,13,15-trimethyl-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-pentaethyl-11,13,15-trimethyl-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-pentaethyl-11,13,15-trimethyl-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](C)(O1)O[Si]1(CC)O[Si](CC)(O4)O[Si](CC)(O3)O[Si](CC)(O2)O1.
What is the InChIKey of 1,3,5,7,9-pentaethyl-11,13,15-trimethyl-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 VNYHHLSOWZOWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34O12Si8/c1-9-29-17-27(7)14-26(6)15-28(8,18-29)20-32(12-4)23-30(10-2,16-26)22-31(11-3,19-27)24-33(13-5,21-29)25-32/h9-13H2,1-8H3.
What are the key properties of 1,3,5,7,9-pentaethyl-11,13,15-trimethyl-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-pentaethyl-11,13,15-trimethyl-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 607.09 g/mol, XLogP of 2.75, 5 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-pentaethyl-11,13,15-trimethyl-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 636040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).