2-trimethylsilylethyl 2-prop-1-enylidenenonanoate

C17H32O2Si — CID 10661666

IUPAC2-trimethylsilylethyl 2-prop-1-enylidenenonanoate
SMILESCC=C=C(CCCCCCC)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-6-8-9-10-11-13-16(12-7-2)17(18)19-14-15-20(3,4)5/h7H,6,8-11,13-15H2,1-5H3
InChIKeyQFYXSVRHILWROI-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.33
Rot. Bonds10

About 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate

2-trimethylsilylethyl 2-prop-1-enylidenenonanoate (PubChem CID 10661666) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-prop-1-enylidenenonanoate
PubChem CID10661666
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name2-trimethylsilylethyl 2-prop-1-enylidenenonanoate
SMILESCC=C=C(CCCCCCC)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-6-8-9-10-11-13-16(12-7-2)17(18)19-14-15-20(3,4)5/h7H,6,8-11,13-15H2,1-5H3
InChIKeyQFYXSVRHILWROI-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate?
The IUPAC name of 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate (CID 10661666) is 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate is CC=C=C(CCCCCCC)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate?
The InChIKey is QFYXSVRHILWROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-6-8-9-10-11-13-16(12-7-2)17(18)19-14-15-20(3,4)5/h7H,6,8-11,13-15H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate?
2-trimethylsilylethyl 2-prop-1-enylidenenonanoate has a molecular weight of 296.53 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-prop-1-enylidenenonanoate is sourced from PubChem (CID 10661666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).