2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate

C16H24O3Si — CID 90408053

IUPAC2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate
SMILESC=CCOc1cccc(C(=O)OCC[Si](C)(C)C)c1C
InChIInChI=1S/C16H24O3Si/c1-6-10-18-15-9-7-8-14(13(15)2)16(17)19-11-12-20(3,4)5/h6-9H,1,10-12H2,2-5H3
InChIKeySRTUTEKFJSNIHU-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.05
Rot. Bonds7

About 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate

2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate (PubChem CID 90408053) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate
PubChem CID90408053
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate
SMILESC=CCOc1cccc(C(=O)OCC[Si](C)(C)C)c1C
InChIInChI=1S/C16H24O3Si/c1-6-10-18-15-9-7-8-14(13(15)2)16(17)19-11-12-20(3,4)5/h6-9H,1,10-12H2,2-5H3
InChIKeySRTUTEKFJSNIHU-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
CID 158104878
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate
CID 11587162
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
prop-2-enyl 2-methyl-3-nitrobenzoate
CID 54493532
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
ethyl 2-methyl-3-[4-(propylamino)butoxy]benzoate
CID 118030639
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate?
The IUPAC name of 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate (CID 90408053) is 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate?
The canonical SMILES for 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate is C=CCOc1cccc(C(=O)OCC[Si](C)(C)C)c1C.
What is the InChIKey of 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate?
The InChIKey is SRTUTEKFJSNIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-6-10-18-15-9-7-8-14(13(15)2)16(17)19-11-12-20(3,4)5/h6-9H,1,10-12H2,2-5H3.
What are the key properties of 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate?
2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate has a molecular weight of 292.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate is sourced from PubChem (CID 90408053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).