CID 134872902

C8H10NOSi — CID 134872902

IUPAC—
SMILESC=CCC(C#N)(/C=C/C)O[Si]
InChIInChI=1S/C8H10NOSi/c1-3-5-8(7-9,10-11)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKeyVQEHBRPTDGGIEA-GQCTYLIASA-N
MW164.26 g/mol
LogP1.50
Rot. Bonds4

About CID 134872902

CID 134872902 (PubChem CID 134872902) has the molecular formula C8H10NOSi and a molecular weight of 164.26 g/mol.

Molecular Properties

Compound NameCID 134872902
PubChem CID134872902
Molecular FormulaC8H10NOSi
Molecular Weight164.26 g/mol
Exact Mass164.05
IUPAC Name—
SMILESC=CCC(C#N)(/C=C/C)O[Si]
InChIInChI=1S/C8H10NOSi/c1-3-5-8(7-9,10-11)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKeyVQEHBRPTDGGIEA-GQCTYLIASA-N
XLogP1.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134872902?
The IUPAC name of CID 134872902 (CID 134872902) is not available.
What is the SMILES notation for CID 134872902?
The canonical SMILES for CID 134872902 is C=CCC(C#N)(/C=C/C)O[Si].
What is the InChIKey of CID 134872902?
The InChIKey is VQEHBRPTDGGIEA-GQCTYLIASA-N. The full InChI is InChI=1S/C8H10NOSi/c1-3-5-8(7-9,10-11)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+.
What are the key properties of CID 134872902?
CID 134872902 has a molecular weight of 164.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134872902 is sourced from PubChem (CID 134872902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).