2-methyl-1-silylprop-2-en-1-one

C4H8OSi — CID 71353742

IUPAC2-methyl-1-silylprop-2-en-1-one
SMILESC=C(C)C(=O)[SiH3]
InChIInChI=1S/C4H8OSi/c1-3(2)4(5)6/h1H2,2,6H3
InChIKeyHOZMLTCHTRHKRK-UHFFFAOYSA-N
MW100.19 g/mol
LogP-0.55
Rot. Bonds1

About 2-methyl-1-silylprop-2-en-1-one

2-methyl-1-silylprop-2-en-1-one (PubChem CID 71353742) has the molecular formula C4H8OSi and a molecular weight of 100.19 g/mol. Its IUPAC name is 2-methyl-1-silylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-silylprop-2-en-1-one
PubChem CID71353742
Molecular FormulaC4H8OSi
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name2-methyl-1-silylprop-2-en-1-one
SMILESC=C(C)C(=O)[SiH3]
InChIInChI=1S/C4H8OSi/c1-3(2)4(5)6/h1H2,2,6H3
InChIKeyHOZMLTCHTRHKRK-UHFFFAOYSA-N
XLogP-0.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methyl-1-silylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-silylprop-2-en-1-one (CID 71353742) is 2-methyl-1-silylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-silylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-silylprop-2-en-1-one is C=C(C)C(=O)[SiH3].
What is the InChIKey of 2-methyl-1-silylprop-2-en-1-one?
The InChIKey is HOZMLTCHTRHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OSi/c1-3(2)4(5)6/h1H2,2,6H3.
What are the key properties of 2-methyl-1-silylprop-2-en-1-one?
2-methyl-1-silylprop-2-en-1-one has a molecular weight of 100.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-silylprop-2-en-1-one is sourced from PubChem (CID 71353742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).