methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate

C20H26O2Si2 — CID 177394949

IUPACmethyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C\[Si](C)(C)[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H26O2Si2/c1-22-20(21)18-13-11-17(12-14-18)15-16-23(2,3)24(4,5)19-9-7-6-8-10-19/h6-16H,1-5H3/b16-15-
InChIKeySWLOVONLYNPPGV-NXVVXOECSA-N
MW354.60 g/mol
LogP4.43
Rot. Bonds5

About methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate

methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate (PubChem CID 177394949) has the molecular formula C20H26O2Si2 and a molecular weight of 354.60 g/mol. Its IUPAC name is methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate
PubChem CID177394949
Molecular FormulaC20H26O2Si2
Molecular Weight354.60 g/mol
Exact Mass354.15
IUPAC Namemethyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C\[Si](C)(C)[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H26O2Si2/c1-22-20(21)18-13-11-17(12-14-18)15-16-23(2,3)24(4,5)19-9-7-6-8-10-19/h6-16H,1-5H3/b16-15-
InChIKeySWLOVONLYNPPGV-NXVVXOECSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.60
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate?
The IUPAC name of methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate (CID 177394949) is methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate is COC(=O)c1ccc(/C=C\[Si](C)(C)[Si](C)(C)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate?
The InChIKey is SWLOVONLYNPPGV-NXVVXOECSA-N. The full InChI is InChI=1S/C20H26O2Si2/c1-22-20(21)18-13-11-17(12-14-18)15-16-23(2,3)24(4,5)19-9-7-6-8-10-19/h6-16H,1-5H3/b16-15-.
What are the key properties of methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate?
methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate has a molecular weight of 354.60 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate is sourced from PubChem (CID 177394949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).