2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate

C14H19ClO3Si — CID 10804066

IUPAC2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C14H19ClO3Si/c1-19(2,3)9-8-18-14(17)12-6-4-11(5-7-12)10-13(15)16/h4-7H,8-10H2,1-3H3
InChIKeyANKYGGOZRSCWMH-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.49
Rot. Bonds6

About 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate

2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate (PubChem CID 10804066) has the molecular formula C14H19ClO3Si and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate
PubChem CID10804066
Molecular FormulaC14H19ClO3Si
Molecular Weight298.84 g/mol
Exact Mass298.08
IUPAC Name2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C14H19ClO3Si/c1-19(2,3)9-8-18-14(17)12-6-4-11(5-7-12)10-13(15)16/h4-7H,8-10H2,1-3H3
InChIKeyANKYGGOZRSCWMH-UHFFFAOYSA-N
XLogP3.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
CID 178078646
2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
4-(2-chloro-2-oxoethyl)benzoyl chloride
CID 101055805
2-trimethylsilylethyl 4-amino-3-methoxybenzoate
CID 10778254
2-(4-aminophenyl)acetyl chloride;ethane
CID 143474750
2-trimethylsilylethyl 3-(2-bromoacetyl)benzoate
CID 131742717
2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate
CID 58495795
bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate
CID 11502797
6-[4-(chloromethyl)benzoyl]oxyhexyl 4-(chloromethyl)benzoate
CID 102078601
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate?
The IUPAC name of 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate (CID 10804066) is 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate.
What is the SMILES notation for 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate?
The canonical SMILES for 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate is C[Si](C)(C)CCOC(=O)c1ccc(CC(=O)Cl)cc1.
What is the InChIKey of 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate?
The InChIKey is ANKYGGOZRSCWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3Si/c1-19(2,3)9-8-18-14(17)12-6-4-11(5-7-12)10-13(15)16/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate?
2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate has a molecular weight of 298.84 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate is sourced from PubChem (CID 10804066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).