CID 176739255

C6H13I2O2Si2- — CID 176739255

IUPAC—
SMILESC[Si](C)(C)O[Si]CCC(=O)[I-]I
InChIInChI=1S/C6H13I2O2Si2/c1-12(2,3)10-11-5-4-6(9)8-7/h4-5H2,1-3H3/q-1
InChIKeyQBONCQUXVGYPFA-UHFFFAOYSA-N
MW427.15 g/mol
LogP-0.77
Rot. Bonds6

About CID 176739255

CID 176739255 (PubChem CID 176739255) has the molecular formula C6H13I2O2Si2- and a molecular weight of 427.15 g/mol.

Molecular Properties

Compound NameCID 176739255
PubChem CID176739255
Molecular FormulaC6H13I2O2Si2-
Molecular Weight427.15 g/mol
Exact Mass426.85
IUPAC Name—
SMILESC[Si](C)(C)O[Si]CCC(=O)[I-]I
InChIInChI=1S/C6H13I2O2Si2/c1-12(2,3)10-11-5-4-6(9)8-7/h4-5H2,1-3H3/q-1
InChIKeyQBONCQUXVGYPFA-UHFFFAOYSA-N
XLogP-0.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 176739255?
The IUPAC name of CID 176739255 (CID 176739255) is not available.
What is the SMILES notation for CID 176739255?
The canonical SMILES for CID 176739255 is C[Si](C)(C)O[Si]CCC(=O)[I-]I.
What is the InChIKey of CID 176739255?
The InChIKey is QBONCQUXVGYPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13I2O2Si2/c1-12(2,3)10-11-5-4-6(9)8-7/h4-5H2,1-3H3/q-1.
What are the key properties of CID 176739255?
CID 176739255 has a molecular weight of 427.15 g/mol, XLogP of -0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176739255 is sourced from PubChem (CID 176739255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).