methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate

C19H22O2Si — CID 124635200

IUPACmethyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C\c2cccc([Si](C)(C)C)c2)cc1
InChIInChI=1S/C19H22O2Si/c1-21-19(20)17-12-10-15(11-13-17)8-9-16-6-5-7-18(14-16)22(2,3)4/h5-14H,1-4H3/b9-8-
InChIKeyGRXNDMPTQHEYMS-HJWRWDBZSA-N
MW310.47 g/mol
LogP4.19
Rot. Bonds4

About methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate

methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate (PubChem CID 124635200) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
PubChem CID124635200
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Namemethyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C\c2cccc([Si](C)(C)C)c2)cc1
InChIInChI=1S/C19H22O2Si/c1-21-19(20)17-12-10-15(11-13-17)8-9-16-6-5-7-18(14-16)22(2,3)4/h5-14H,1-4H3/b9-8-
InChIKeyGRXNDMPTQHEYMS-HJWRWDBZSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211
methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
CID 155479516
methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate
CID 177394949
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 4-[(E)-2-[4,5-bis[(E)-2-(4-acetylphenyl)ethenyl]-2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 135273845
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate
CID 102437216
methyl 3-(2-methoxyethenyl)benzoate
CID 67019210
methyl 4-[2-(1H-pyrrol-2-yl)ethenyl]benzoate
CID 54117004
methyl 4-[(E)-3-(3-acetylphenoxy)-3-oxoprop-1-enyl]benzoate
CID 8840169
4-[(E)-3-oxo-3-(3-trimethylsilylphenyl)prop-1-enyl]benzoic acid
CID 14605650
4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate
CID 15037561

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate?
The IUPAC name of methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate (CID 124635200) is methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate is COC(=O)c1ccc(/C=C\c2cccc([Si](C)(C)C)c2)cc1.
What is the InChIKey of methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate?
The InChIKey is GRXNDMPTQHEYMS-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-21-19(20)17-12-10-15(11-13-17)8-9-16-6-5-7-18(14-16)22(2,3)4/h5-14H,1-4H3/b9-8-.
What are the key properties of methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate?
methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate has a molecular weight of 310.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate is sourced from PubChem (CID 124635200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).