2-trimethylsilylprop-2-enal

C6H12OSi — CID 10887926

IUPAC2-trimethylsilylprop-2-enal
SMILESC=C(C=O)[Si](C)(C)C
InChIInChI=1S/C6H12OSi/c1-6(5-7)8(2,3)4/h5H,1H2,2-4H3
InChIKeyMDCTXSOXYFLCPE-UHFFFAOYSA-N
MW128.25 g/mol
LogP1.62
Rot. Bonds2

About 2-trimethylsilylprop-2-enal

2-trimethylsilylprop-2-enal (PubChem CID 10887926) has the molecular formula C6H12OSi and a molecular weight of 128.25 g/mol. Its IUPAC name is 2-trimethylsilylprop-2-enal.

Molecular Properties

Compound Name2-trimethylsilylprop-2-enal
PubChem CID10887926
Molecular FormulaC6H12OSi
Molecular Weight128.25 g/mol
Exact Mass128.07
IUPAC Name2-trimethylsilylprop-2-enal
SMILESC=C(C=O)[Si](C)(C)C
InChIInChI=1S/C6H12OSi/c1-6(5-7)8(2,3)4/h5H,1H2,2-4H3
InChIKeyMDCTXSOXYFLCPE-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-trimethylsilylprop-2-enal?
The IUPAC name of 2-trimethylsilylprop-2-enal (CID 10887926) is 2-trimethylsilylprop-2-enal.
What is the SMILES notation for 2-trimethylsilylprop-2-enal?
The canonical SMILES for 2-trimethylsilylprop-2-enal is C=C(C=O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylprop-2-enal?
The InChIKey is MDCTXSOXYFLCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OSi/c1-6(5-7)8(2,3)4/h5H,1H2,2-4H3.
What are the key properties of 2-trimethylsilylprop-2-enal?
2-trimethylsilylprop-2-enal has a molecular weight of 128.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylprop-2-enal is sourced from PubChem (CID 10887926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).