lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate

C18H18LiNOSi — CID 135000504

IUPAClithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate
SMILESC[Si](C)(c1ccccc1)C(/C=C(\[O-])C#N)c1ccccc1.[Li+]
InChIInChI=1S/C18H19NOSi.Li/c1-21(2,17-11-7-4-8-12-17)18(13-16(20)14-19)15-9-5-3-6-10-15;/h3-13,18,20H,1-2H3;/q;+1/p-1/b16-13-;
InChIKeyWDURPIJHXARWDB-UNVLYCKESA-M
MW299.38 g/mol
LogP-0.30
Rot. Bonds4

About lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate

lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate (PubChem CID 135000504) has the molecular formula C18H18LiNOSi and a molecular weight of 299.38 g/mol. Its IUPAC name is lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate.

Molecular Properties

Compound Namelithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate
PubChem CID135000504
Molecular FormulaC18H18LiNOSi
Molecular Weight299.38 g/mol
Exact Mass299.13
IUPAC Namelithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate
SMILESC[Si](C)(c1ccccc1)C(/C=C(\[O-])C#N)c1ccccc1.[Li+]
InChIInChI=1S/C18H19NOSi.Li/c1-21(2,17-11-7-4-8-12-17)18(13-16(20)14-19)15-9-5-3-6-10-15;/h3-13,18,20H,1-2H3;/q;+1/p-1/b16-13-;
InChIKeyWDURPIJHXARWDB-UNVLYCKESA-M
XLogP-0.30
TPSA46.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate?
The IUPAC name of lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate (CID 135000504) is lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate.
What is the SMILES notation for lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate?
The canonical SMILES for lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate is C[Si](C)(c1ccccc1)C(/C=C(\[O-])C#N)c1ccccc1.[Li+].
What is the InChIKey of lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate?
The InChIKey is WDURPIJHXARWDB-UNVLYCKESA-M. The full InChI is InChI=1S/C18H19NOSi.Li/c1-21(2,17-11-7-4-8-12-17)18(13-16(20)14-19)15-9-5-3-6-10-15;/h3-13,18,20H,1-2H3;/q;+1/p-1/b16-13-;.
What are the key properties of lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate?
lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate has a molecular weight of 299.38 g/mol, XLogP of -0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-1-cyano-3-[dimethyl(phenyl)silyl]-3-phenylprop-1-en-1-olate is sourced from PubChem (CID 135000504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).