1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate

C15H20O4Si — CID 91735844

IUPAC1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate
SMILESC/C=C/COC(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H20O4Si/c1-5-6-11-18-14(16)12-9-7-8-10-13(12)15(17)19-20(2,3)4/h5-10H,11H2,1-4H3/b6-5+
InChIKeyWFGLHTWWDJOFQY-AATRIKPKSA-N
MW292.41 g/mol
LogP3.41
Rot. Bonds5

About 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate

1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate (PubChem CID 91735844) has the molecular formula C15H20O4Si and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate
PubChem CID91735844
Molecular FormulaC15H20O4Si
Molecular Weight292.41 g/mol
Exact Mass292.11
IUPAC Name1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate
SMILESC/C=C/COC(=O)c1ccccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H20O4Si/c1-5-6-11-18-14(16)12-9-7-8-10-13(12)15(17)19-20(2,3)4/h5-10H,11H2,1-4H3/b6-5+
InChIKeyWFGLHTWWDJOFQY-AATRIKPKSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-but-2-enyl] naphthalene-1-carboxylate
CID 15424069
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
[(E)-but-2-enyl] benzoate
CID 5352600
2-O,4-O-bis[(E)-but-2-enyl] 1-O-[(Z)-but-2-enyl] benzene-1,2,4-tricarboxylate
CID 59119104
[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
trimethylsilyl 2-methylbenzoate
CID 577266
1-O-(2-butoxyethyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735685
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
[(2E,4E)-hexa-2,4-dienyl] 2,3-dihydroxybenzoate
CID 132581641
trimethylsilyl 2-trimethylsilylbenzoate
CID 14439390
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101

Frequently Asked Questions

What is the IUPAC name of 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate (CID 91735844) is 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate is C/C=C/COC(=O)c1ccccc1C(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
The InChIKey is WFGLHTWWDJOFQY-AATRIKPKSA-N. The full InChI is InChI=1S/C15H20O4Si/c1-5-6-11-18-14(16)12-9-7-8-10-13(12)15(17)19-20(2,3)4/h5-10H,11H2,1-4H3/b6-5+.
What are the key properties of 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate?
1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate has a molecular weight of 292.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 91735844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).