2-(trimethylsilylmethyl)prop-2-enal

C7H14OSi — CID 11789313

IUPAC2-(trimethylsilylmethyl)prop-2-enal
SMILESC=C(C=O)C[Si](C)(C)C
InChIInChI=1S/C7H14OSi/c1-7(5-8)6-9(2,3)4/h5H,1,6H2,2-4H3
InChIKeyIJZVXORTZQWNLO-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.08
Rot. Bonds3

About 2-(trimethylsilylmethyl)prop-2-enal

2-(trimethylsilylmethyl)prop-2-enal (PubChem CID 11789313) has the molecular formula C7H14OSi and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-(trimethylsilylmethyl)prop-2-enal.

Molecular Properties

Compound Name2-(trimethylsilylmethyl)prop-2-enal
PubChem CID11789313
Molecular FormulaC7H14OSi
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-(trimethylsilylmethyl)prop-2-enal
SMILESC=C(C=O)C[Si](C)(C)C
InChIInChI=1S/C7H14OSi/c1-7(5-8)6-9(2,3)4/h5H,1,6H2,2-4H3
InChIKeyIJZVXORTZQWNLO-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.08
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-(trimethylsilylmethyl)prop-2-enal?
The IUPAC name of 2-(trimethylsilylmethyl)prop-2-enal (CID 11789313) is 2-(trimethylsilylmethyl)prop-2-enal.
What is the SMILES notation for 2-(trimethylsilylmethyl)prop-2-enal?
The canonical SMILES for 2-(trimethylsilylmethyl)prop-2-enal is C=C(C=O)C[Si](C)(C)C.
What is the InChIKey of 2-(trimethylsilylmethyl)prop-2-enal?
The InChIKey is IJZVXORTZQWNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSi/c1-7(5-8)6-9(2,3)4/h5H,1,6H2,2-4H3.
What are the key properties of 2-(trimethylsilylmethyl)prop-2-enal?
2-(trimethylsilylmethyl)prop-2-enal has a molecular weight of 142.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilylmethyl)prop-2-enal is sourced from PubChem (CID 11789313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).