1,3-diphenyl-3-trimethylsilyloxypropan-1-one

C18H22O2Si — CID 10924517

IUPAC1,3-diphenyl-3-trimethylsilyloxypropan-1-one
SMILESC[Si](C)(C)OC(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-21(2,3)20-18(16-12-8-5-9-13-16)14-17(19)15-10-6-4-7-11-15/h4-13,18H,14H2,1-3H3
InChIKeyQMLAIVCZGZLUNL-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.85
Rot. Bonds6

About 1,3-diphenyl-3-trimethylsilyloxypropan-1-one

1,3-diphenyl-3-trimethylsilyloxypropan-1-one (PubChem CID 10924517) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 1,3-diphenyl-3-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name1,3-diphenyl-3-trimethylsilyloxypropan-1-one
PubChem CID10924517
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Name1,3-diphenyl-3-trimethylsilyloxypropan-1-one
SMILESC[Si](C)(C)OC(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-21(2,3)20-18(16-12-8-5-9-13-16)14-17(19)15-10-6-4-7-11-15/h4-13,18H,14H2,1-3H3
InChIKeyQMLAIVCZGZLUNL-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.85
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

Benzoin ethyl ether
CID 101778
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
Benzoin isobutyl ether
CID 90794
5-Hydroxy-1,5-diphenyl-1-penten-3-one
CID 11736860
Ethanone, 2-butoxy-1,2-diphenyl-
CID 90793
4-Hydroxy-4-phenylbutyrophenone
CID 344857
3-Hydroxy-1,4-diphenylbutan-1-one
CID 11107470
1-Pentanone, 3-methoxy-1,5-diphenyl-
CID 11448568
3-Methoxy-1,4-diphenylbutan-1-one
CID 15888411
4-Methoxy-1,4-diphenylbutan-2-one
CID 24881475
1-Propanone, 3-methoxy-1,3-diphenyl-
CID 10037292
1-Propanone, 3-hydroxy-1,3-diphenyl-, (3R)-
CID 11107049

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-3-trimethylsilyloxypropan-1-one?
The IUPAC name of 1,3-diphenyl-3-trimethylsilyloxypropan-1-one (CID 10924517) is 1,3-diphenyl-3-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 1,3-diphenyl-3-trimethylsilyloxypropan-1-one?
The canonical SMILES for 1,3-diphenyl-3-trimethylsilyloxypropan-1-one is C[Si](C)(C)OC(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-3-trimethylsilyloxypropan-1-one?
The InChIKey is QMLAIVCZGZLUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-21(2,3)20-18(16-12-8-5-9-13-16)14-17(19)15-10-6-4-7-11-15/h4-13,18H,14H2,1-3H3.
What are the key properties of 1,3-diphenyl-3-trimethylsilyloxypropan-1-one?
1,3-diphenyl-3-trimethylsilyloxypropan-1-one has a molecular weight of 298.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-3-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 10924517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).