CID 20823453

C8H24O12Si9 — CID 20823453

IUPAC—
SMILESC[Si]1O[Si]2(C)O[Si]3(C)O[Si](C)(O[Si])O[Si]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4
InChIInChI=1S/C8H24O12Si9/c1-22-10-24(3)14-26(5)12-23(2,9-21)13-27(6)15-25(4,11-22)17-28(7,16-24)20-29(8,18-26)19-27/h1-8H3
InChIKeyOYHIUEVNIPEWEX-UHFFFAOYSA-N
MW565.04 g/mol
LogP0.42
Rot. Bonds1

About CID 20823453

CID 20823453 (PubChem CID 20823453) has the molecular formula C8H24O12Si9 and a molecular weight of 565.04 g/mol.

Molecular Properties

Compound NameCID 20823453
PubChem CID20823453
Molecular FormulaC8H24O12Si9
Molecular Weight565.04 g/mol
Exact Mass563.92
IUPAC Name—
SMILESC[Si]1O[Si]2(C)O[Si]3(C)O[Si](C)(O[Si])O[Si]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4
InChIInChI=1S/C8H24O12Si9/c1-22-10-24(3)14-26(5)12-23(2,9-21)13-27(6)15-25(4,11-22)17-28(7,16-24)20-29(8,18-26)19-27/h1-8H3
InChIKeyOYHIUEVNIPEWEX-UHFFFAOYSA-N
XLogP0.42
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.04
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20823453?
The IUPAC name of CID 20823453 (CID 20823453) is not available.
What is the SMILES notation for CID 20823453?
The canonical SMILES for CID 20823453 is C[Si]1O[Si]2(C)O[Si]3(C)O[Si](C)(O[Si])O[Si]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4.
What is the InChIKey of CID 20823453?
The InChIKey is OYHIUEVNIPEWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H24O12Si9/c1-22-10-24(3)14-26(5)12-23(2,9-21)13-27(6)15-25(4,11-22)17-28(7,16-24)20-29(8,18-26)19-27/h1-8H3.
What are the key properties of CID 20823453?
CID 20823453 has a molecular weight of 565.04 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20823453 is sourced from PubChem (CID 20823453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).