1-phenyl-2-tri(propan-2-yl)silyloxyethanone

C17H28O2Si — CID 86204498

IUPAC1-phenyl-2-tri(propan-2-yl)silyloxyethanone
SMILESCC(C)[Si](OCC(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C17H28O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(18)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3
InChIKeyOJMYVFKZJFEUQR-UHFFFAOYSA-N
MW292.49 g/mol
LogP5.06
Rot. Bonds7

About 1-phenyl-2-tri(propan-2-yl)silyloxyethanone

1-phenyl-2-tri(propan-2-yl)silyloxyethanone (PubChem CID 86204498) has the molecular formula C17H28O2Si and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-phenyl-2-tri(propan-2-yl)silyloxyethanone.

Molecular Properties

Compound Name1-phenyl-2-tri(propan-2-yl)silyloxyethanone
PubChem CID86204498
Molecular FormulaC17H28O2Si
Molecular Weight292.49 g/mol
Exact Mass292.19
IUPAC Name1-phenyl-2-tri(propan-2-yl)silyloxyethanone
SMILESCC(C)[Si](OCC(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C17H28O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(18)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3
InChIKeyOJMYVFKZJFEUQR-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alpha-Hydroxyacetophenone
CID 68490
Ethyl benzoylformate
CID 15349
Methyl phenylglyoxalate
CID 84835
Ethanone, 2-(acetyloxy)-1-phenyl-
CID 222851
Pibecarb
CID 71114
2-Hydroxy-1-phenyl-1-propanone
CID 101121
2-Methoxy-1-phenylethanone
CID 77698
2-((3-Methylbut-2-en-1-yl)oxy)-1-phenylethan-1-one
CID 13618012
2-((Tert-butyldimethylsilyl)oxy)-2-phenylacetaldehyde
CID 10890342
1-(2-Fluorophenyl)-2-methoxyethan-1-one
CID 43799529
2-[Tert-butyl(dimethyl)silyl]oxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
CID 44419038
1-(4-(Trimethylsilyl)phenyl)ethan-1-one
CID 11137987

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-tri(propan-2-yl)silyloxyethanone?
The IUPAC name of 1-phenyl-2-tri(propan-2-yl)silyloxyethanone (CID 86204498) is 1-phenyl-2-tri(propan-2-yl)silyloxyethanone.
What is the SMILES notation for 1-phenyl-2-tri(propan-2-yl)silyloxyethanone?
The canonical SMILES for 1-phenyl-2-tri(propan-2-yl)silyloxyethanone is CC(C)[Si](OCC(=O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of 1-phenyl-2-tri(propan-2-yl)silyloxyethanone?
The InChIKey is OJMYVFKZJFEUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(18)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3.
What are the key properties of 1-phenyl-2-tri(propan-2-yl)silyloxyethanone?
1-phenyl-2-tri(propan-2-yl)silyloxyethanone has a molecular weight of 292.49 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-tri(propan-2-yl)silyloxyethanone is sourced from PubChem (CID 86204498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).