[diethyl-[(E)-2-phenylethenyl]silyl] benzoate

C19H22O2Si — CID 169097316

IUPAC[diethyl-[(E)-2-phenylethenyl]silyl] benzoate
SMILESCC[Si](/C=C/c1ccccc1)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C19H22O2Si/c1-3-22(4-2,16-15-17-11-7-5-8-12-17)21-19(20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b16-15+
InChIKeyPZKGOCRBMVIWSF-FOCLMDBBSA-N
MW310.47 g/mol
LogP5.08
Rot. Bonds6

About [diethyl-[(E)-2-phenylethenyl]silyl] benzoate

[diethyl-[(E)-2-phenylethenyl]silyl] benzoate (PubChem CID 169097316) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is [diethyl-[(E)-2-phenylethenyl]silyl] benzoate.

Molecular Properties

Compound Name[diethyl-[(E)-2-phenylethenyl]silyl] benzoate
PubChem CID169097316
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Name[diethyl-[(E)-2-phenylethenyl]silyl] benzoate
SMILESCC[Si](/C=C/c1ccccc1)(CC)OC(=O)c1ccccc1
InChIInChI=1S/C19H22O2Si/c1-3-22(4-2,16-15-17-11-7-5-8-12-17)21-19(20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b16-15+
InChIKeyPZKGOCRBMVIWSF-FOCLMDBBSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl-dihydroxy-[(E)-2-phenylethenyl]silane
CID 10559740
(benzoyloxy-methyl-prop-2-enylsilyl) benzoate
CID 54168383
benzaldehyde;benzoyl benzoate
CID 160747482
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
[(Z)-4-phenylbut-3-en-2-yl] benzoate
CID 10444919
benzenecarboperoxoic acid;propane
CID 87106834
(1-oxobutan-2-ylideneamino) benzoate
CID 175932677
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
CID 158970570
CID 158970570
acetic acid;stilbene
CID 172803728
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091

Frequently Asked Questions

What is the IUPAC name of [diethyl-[(E)-2-phenylethenyl]silyl] benzoate?
The IUPAC name of [diethyl-[(E)-2-phenylethenyl]silyl] benzoate (CID 169097316) is [diethyl-[(E)-2-phenylethenyl]silyl] benzoate.
What is the SMILES notation for [diethyl-[(E)-2-phenylethenyl]silyl] benzoate?
The canonical SMILES for [diethyl-[(E)-2-phenylethenyl]silyl] benzoate is CC[Si](/C=C/c1ccccc1)(CC)OC(=O)c1ccccc1.
What is the InChIKey of [diethyl-[(E)-2-phenylethenyl]silyl] benzoate?
The InChIKey is PZKGOCRBMVIWSF-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-3-22(4-2,16-15-17-11-7-5-8-12-17)21-19(20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b16-15+.
What are the key properties of [diethyl-[(E)-2-phenylethenyl]silyl] benzoate?
[diethyl-[(E)-2-phenylethenyl]silyl] benzoate has a molecular weight of 310.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl-[(E)-2-phenylethenyl]silyl] benzoate is sourced from PubChem (CID 169097316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).