2-trimethylsilylethyl 4-iodobenzoate

C12H17IO2Si — CID 11290981

IUPAC2-trimethylsilylethyl 4-iodobenzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H17IO2Si/c1-16(2,3)9-8-15-12(14)10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyUMHAXMBMNPGUDM-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.79
Rot. Bonds4

About 2-trimethylsilylethyl 4-iodobenzoate

2-trimethylsilylethyl 4-iodobenzoate (PubChem CID 11290981) has the molecular formula C12H17IO2Si and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-iodobenzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-iodobenzoate
PubChem CID11290981
Molecular FormulaC12H17IO2Si
Molecular Weight348.26 g/mol
Exact Mass348.00
IUPAC Name2-trimethylsilylethyl 4-iodobenzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H17IO2Si/c1-16(2,3)9-8-15-12(14)10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyUMHAXMBMNPGUDM-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
CID 178078646
2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate
CID 10804066
3-triethoxysilylpropyl 4-iodobenzoate
CID 153491390
hexadecyl 4-iodobenzoate
CID 68623259
(4-iodobenzoyl) 4-iodobenzenecarboperoxoate
CID 141495091
2-[ethyl(methyl)amino]ethyl 4-iodobenzoate
CID 170392957
2-trimethylsilylethyl 4-amino-3-methoxybenzoate
CID 10778254
silylmethyl 4-iodobenzoate
CID 157209971
zinc 2-trimethylsilylethyl 4-[15-(4-iodophenyl)-10,20-bis(trifluoromethyl)porphyrin-22,24-diid-5-yl]benzoate
CID 11803926
2-trimethylsilylethyl (3S)-3-amino-4-(4-iodophenyl)butanoate
CID 54128226
dodecyl 4-(4-iodophenyl)benzoate
CID 121325045

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-iodobenzoate?
The IUPAC name of 2-trimethylsilylethyl 4-iodobenzoate (CID 11290981) is 2-trimethylsilylethyl 4-iodobenzoate.
What is the SMILES notation for 2-trimethylsilylethyl 4-iodobenzoate?
The canonical SMILES for 2-trimethylsilylethyl 4-iodobenzoate is C[Si](C)(C)CCOC(=O)c1ccc(I)cc1.
What is the InChIKey of 2-trimethylsilylethyl 4-iodobenzoate?
The InChIKey is UMHAXMBMNPGUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2Si/c1-16(2,3)9-8-15-12(14)10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-iodobenzoate?
2-trimethylsilylethyl 4-iodobenzoate has a molecular weight of 348.26 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-iodobenzoate is sourced from PubChem (CID 11290981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).