[(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate

C32H32O5Si — CID 177474454

IUPAC[(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate
SMILESCOc1ccc([Si](/C=C/C(OC(C)=O)c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H32O5Si/c1-24(33)37-32(25-8-6-5-7-9-25)22-23-38(29-16-10-26(34-2)11-17-29,30-18-12-27(35-3)13-19-30)31-20-14-28(36-4)15-21-31/h5-23,32H,1-4H3/b23-22+
InChIKeyAUTGJRFCIVOADY-GHVJWSGMSA-N
MW524.69 g/mol
LogP4.58
Rot. Bonds10

About [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate

[(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate (PubChem CID 177474454) has the molecular formula C32H32O5Si and a molecular weight of 524.69 g/mol. Its IUPAC name is [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate
PubChem CID177474454
Molecular FormulaC32H32O5Si
Molecular Weight524.69 g/mol
Exact Mass524.20
IUPAC Name[(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate
SMILESCOc1ccc([Si](/C=C/C(OC(C)=O)c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H32O5Si/c1-24(33)37-32(25-8-6-5-7-9-25)22-23-38(29-16-10-26(34-2)11-17-29,30-18-12-27(35-3)13-19-30)31-20-14-28(36-4)15-21-31/h5-23,32H,1-4H3/b23-22+
InChIKeyAUTGJRFCIVOADY-GHVJWSGMSA-N
XLogP4.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.69
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate
CID 11760893
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate
CID 132500061
[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
CID 41098079
CID 168763649
CID 168763649
1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene
CID 177454305
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548
anisole;ethane;propan-2-one
CID 164986667
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
anisole;butan-2-one
CID 67379528
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate?
The IUPAC name of [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate (CID 177474454) is [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate?
The canonical SMILES for [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate is COc1ccc([Si](/C=C/C(OC(C)=O)c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate?
The InChIKey is AUTGJRFCIVOADY-GHVJWSGMSA-N. The full InChI is InChI=1S/C32H32O5Si/c1-24(33)37-32(25-8-6-5-7-9-25)22-23-38(29-16-10-26(34-2)11-17-29,30-18-12-27(35-3)13-19-30)31-20-14-28(36-4)15-21-31/h5-23,32H,1-4H3/b23-22+.
What are the key properties of [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate?
[(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate has a molecular weight of 524.69 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenyl-3-tris(4-methoxyphenyl)silylprop-2-enyl] acetate is sourced from PubChem (CID 177474454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).