1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

C9H26O11Si8 — CID 23405000

IUPAC1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
SMILESC[Si]12C[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](C)(O4)O1
InChIInChI=1S/C9H26O11Si8/c1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27/h9H2,1-8H3
InChIKeyFELGQTVGFXDQGR-UHFFFAOYSA-N
MW534.98 g/mol
LogP1.33
Rot. Bonds

About 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane (PubChem CID 23405000) has the molecular formula C9H26O11Si8 and a molecular weight of 534.98 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
PubChem CID23405000
Molecular FormulaC9H26O11Si8
Molecular Weight534.98 g/mol
Exact Mass533.96
IUPAC Name1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
SMILESC[Si]12C[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](C)(O4)O1
InChIInChI=1S/C9H26O11Si8/c1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27/h9H2,1-8H3
InChIKeyFELGQTVGFXDQGR-UHFFFAOYSA-N
XLogP1.33
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.98
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-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 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The IUPAC name of 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane (CID 23405000) is 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-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 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The canonical SMILES for 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane is C[Si]12C[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](C)(O4)O1.
What is the InChIKey of 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The InChIKey is FELGQTVGFXDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H26O11Si8/c1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27/h9H2,1-8H3.
What are the key properties of 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane has a molecular weight of 534.98 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane is sourced from PubChem (CID 23405000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).