2-trimethylsilylethyl 4-(hydroxymethyl)benzoate

C13H20O3Si — CID 178078646

IUPAC2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H20O3Si/c1-17(2,3)9-8-16-13(15)12-6-4-11(10-14)5-7-12/h4-7,14H,8-10H2,1-3H3
InChIKeySORSDPJFRXBRRM-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.67
Rot. Bonds5

About 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate

2-trimethylsilylethyl 4-(hydroxymethyl)benzoate (PubChem CID 178078646) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
PubChem CID178078646
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Name2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H20O3Si/c1-17(2,3)9-8-16-13(15)12-6-4-11(10-14)5-7-12/h4-7,14H,8-10H2,1-3H3
InChIKeySORSDPJFRXBRRM-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate
CID 10804066
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
butyl 4-(hydroxymethyl)benzoate
CID 54464600
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
2-methylpropyl 4-(hydroxymethyl)benzoate
CID 150293038
[4-(hydroxymethyl)benzoyl] 4-methylbenzenecarboperoxoate
CID 163593523
2-trimethylsilylethyl 4-amino-3-methoxybenzoate
CID 10778254
4-(hydroxymethyl)-N-(trimethylsilylmethyl)benzamide
CID 174748674
bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
chloro 4-(hydroxymethyl)benzoate
CID 174742184
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate?
The IUPAC name of 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate (CID 178078646) is 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate.
What is the SMILES notation for 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate?
The canonical SMILES for 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate is C[Si](C)(C)CCOC(=O)c1ccc(CO)cc1.
What is the InChIKey of 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate?
The InChIKey is SORSDPJFRXBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-17(2,3)9-8-16-13(15)12-6-4-11(10-14)5-7-12/h4-7,14H,8-10H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate?
2-trimethylsilylethyl 4-(hydroxymethyl)benzoate has a molecular weight of 252.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 178078646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).