2-trimethylsilylethyl 4-hydroxybenzoate

C12H18O3Si — CID 10847549

IUPAC2-trimethylsilylethyl 4-hydroxybenzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H18O3Si/c1-16(2,3)9-8-15-12(14)10-4-6-11(13)7-5-10/h4-7,13H,8-9H2,1-3H3
InChIKeyVITTWCZAICCHBB-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.89
Rot. Bonds4

About 2-trimethylsilylethyl 4-hydroxybenzoate

2-trimethylsilylethyl 4-hydroxybenzoate (PubChem CID 10847549) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-hydroxybenzoate
PubChem CID10847549
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Name2-trimethylsilylethyl 4-hydroxybenzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H18O3Si/c1-16(2,3)9-8-15-12(14)10-4-6-11(13)7-5-10/h4-7,13H,8-9H2,1-3H3
InChIKeyVITTWCZAICCHBB-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.89
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-iodobenzoate
CID 11290981
2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
CID 178078646
propyl 4-hydroxybenzoate
CID 66683808
2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate
CID 10804066
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-hydroxybenzoate?
The IUPAC name of 2-trimethylsilylethyl 4-hydroxybenzoate (CID 10847549) is 2-trimethylsilylethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-trimethylsilylethyl 4-hydroxybenzoate?
The canonical SMILES for 2-trimethylsilylethyl 4-hydroxybenzoate is C[Si](C)(C)CCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-trimethylsilylethyl 4-hydroxybenzoate?
The InChIKey is VITTWCZAICCHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-16(2,3)9-8-15-12(14)10-4-6-11(13)7-5-10/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-hydroxybenzoate?
2-trimethylsilylethyl 4-hydroxybenzoate has a molecular weight of 238.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-hydroxybenzoate is sourced from PubChem (CID 10847549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).