2-ethenyl-3-trimethylsilylbenzoic acid

C12H16O2Si — CID 69284349

IUPAC2-ethenyl-3-trimethylsilylbenzoic acid
SMILESC=Cc1c(C(=O)O)cccc1[Si](C)(C)C
InChIInChI=1S/C12H16O2Si/c1-5-9-10(12(13)14)7-6-8-11(9)15(2,3)4/h5-8H,1H2,2-4H3,(H,13,14)
InChIKeyPKAGQWDMGNJYTL-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.57
Rot. Bonds3

About 2-ethenyl-3-trimethylsilylbenzoic acid

2-ethenyl-3-trimethylsilylbenzoic acid (PubChem CID 69284349) has the molecular formula C12H16O2Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-ethenyl-3-trimethylsilylbenzoic acid.

Molecular Properties

Compound Name2-ethenyl-3-trimethylsilylbenzoic acid
PubChem CID69284349
Molecular FormulaC12H16O2Si
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name2-ethenyl-3-trimethylsilylbenzoic acid
SMILESC=Cc1c(C(=O)O)cccc1[Si](C)(C)C
InChIInChI=1S/C12H16O2Si/c1-5-9-10(12(13)14)7-6-8-11(9)15(2,3)4/h5-8H,1H2,2-4H3,(H,13,14)
InChIKeyPKAGQWDMGNJYTL-UHFFFAOYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethenylbenzene-1,3-dicarboxylic acid
CID 141248980
3-bromo-2-ethenylbenzoic acid
CID 141075495
2-ethenyl-3,4-dihydroxybenzoic acid
CID 176903031
3-ethenyl-2-ethylbenzoic acid
CID 70289721
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
2-ethenylbenzoic acid;europium
CID 174925184
2-(sulfinylmethyl)benzene-1,3-dicarboxylic acid
CID 172765925
2-ethenyl-5-phenylbenzene-1,3-dicarboxylic acid
CID 175572544
3,4-dichloro-2-ethenylbenzoic acid
CID 54092126
2-(prop-2-enylsulfonylmethyl)benzene-1,3-dicarboxylic acid
CID 174250456
ethane;3-hydroxy-2-methylbenzoic acid;prop-1-ene
CID 143312363
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-trimethylsilylbenzoic acid?
The IUPAC name of 2-ethenyl-3-trimethylsilylbenzoic acid (CID 69284349) is 2-ethenyl-3-trimethylsilylbenzoic acid.
What is the SMILES notation for 2-ethenyl-3-trimethylsilylbenzoic acid?
The canonical SMILES for 2-ethenyl-3-trimethylsilylbenzoic acid is C=Cc1c(C(=O)O)cccc1[Si](C)(C)C.
What is the InChIKey of 2-ethenyl-3-trimethylsilylbenzoic acid?
The InChIKey is PKAGQWDMGNJYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2Si/c1-5-9-10(12(13)14)7-6-8-11(9)15(2,3)4/h5-8H,1H2,2-4H3,(H,13,14).
What are the key properties of 2-ethenyl-3-trimethylsilylbenzoic acid?
2-ethenyl-3-trimethylsilylbenzoic acid has a molecular weight of 220.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-trimethylsilylbenzoic acid is sourced from PubChem (CID 69284349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).