4-[dimethyl(phenyl)silyl]but-3-yn-2-one

C12H14OSi — CID 11310201

IUPAC4-[dimethyl(phenyl)silyl]but-3-yn-2-one
SMILESCC(=O)C#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H14OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyLSMMMVXQGJUMSO-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.73
Rot. Bonds1

About 4-[dimethyl(phenyl)silyl]but-3-yn-2-one

4-[dimethyl(phenyl)silyl]but-3-yn-2-one (PubChem CID 11310201) has the molecular formula C12H14OSi and a molecular weight of 202.33 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]but-3-yn-2-one.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]but-3-yn-2-one
PubChem CID11310201
Molecular FormulaC12H14OSi
Molecular Weight202.33 g/mol
Exact Mass202.08
IUPAC Name4-[dimethyl(phenyl)silyl]but-3-yn-2-one
SMILESCC(=O)C#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H14OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyLSMMMVXQGJUMSO-UHFFFAOYSA-N
XLogP1.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]but-3-yn-2-one?
The IUPAC name of 4-[dimethyl(phenyl)silyl]but-3-yn-2-one (CID 11310201) is 4-[dimethyl(phenyl)silyl]but-3-yn-2-one.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]but-3-yn-2-one?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]but-3-yn-2-one is CC(=O)C#C[Si](C)(C)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]but-3-yn-2-one?
The InChIKey is LSMMMVXQGJUMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8H,1-3H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]but-3-yn-2-one?
4-[dimethyl(phenyl)silyl]but-3-yn-2-one has a molecular weight of 202.33 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]but-3-yn-2-one is sourced from PubChem (CID 11310201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).