CID 102058865

C20H48O8Si2Sn — CID 102058865

IUPAC—
SMILESCCO[Si]([O-])(OCC)OCC.CCO[Si]([O-])(OCC)OCC.[CH2]CCC.[CH2]CCC.[Sn+2]
InChIInChI=1S/2C6H15O4Si.2C4H9.Sn/c2*1-4-8-11(7,9-5-2)10-6-3;2*1-3-4-2;/h2*4-6H2,1-3H3;2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyLVILMLNOLVAYLR-UHFFFAOYSA-N
MW591.48 g/mol
LogP2.64
Rot. Bonds14

About CID 102058865

CID 102058865 (PubChem CID 102058865) has the molecular formula C20H48O8Si2Sn and a molecular weight of 591.48 g/mol.

Molecular Properties

Compound NameCID 102058865
PubChem CID102058865
Molecular FormulaC20H48O8Si2Sn
Molecular Weight591.48 g/mol
Exact Mass592.19
IUPAC Name—
SMILESCCO[Si]([O-])(OCC)OCC.CCO[Si]([O-])(OCC)OCC.[CH2]CCC.[CH2]CCC.[Sn+2]
InChIInChI=1S/2C6H15O4Si.2C4H9.Sn/c2*1-4-8-11(7,9-5-2)10-6-3;2*1-3-4-2;/h2*4-6H2,1-3H3;2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyLVILMLNOLVAYLR-UHFFFAOYSA-N
XLogP2.64
TPSA101.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 102058865?
The IUPAC name of CID 102058865 (CID 102058865) is not available.
What is the SMILES notation for CID 102058865?
The canonical SMILES for CID 102058865 is CCO[Si]([O-])(OCC)OCC.CCO[Si]([O-])(OCC)OCC.[CH2]CCC.[CH2]CCC.[Sn+2].
What is the InChIKey of CID 102058865?
The InChIKey is LVILMLNOLVAYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15O4Si.2C4H9.Sn/c2*1-4-8-11(7,9-5-2)10-6-3;2*1-3-4-2;/h2*4-6H2,1-3H3;2*1,3-4H2,2H3;/q2*-1;;;+2.
What are the key properties of CID 102058865?
CID 102058865 has a molecular weight of 591.48 g/mol, XLogP of 2.64, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102058865 is sourced from PubChem (CID 102058865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).