(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one

C23H32O2Si — CID 101269774

IUPAC(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
SMILESCC[C@H](C(=O)c1ccccc1)[C@H](O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-5-21(22(24)19-15-11-9-12-16-19)23(20-17-13-10-14-18-20)25-26(6-2,7-3)8-4/h9-18,21,23H,5-8H2,1-4H3/t21-,23-/m1/s1
InChIKeyIOHBQDJMVVOZDW-FYYLOGMGSA-N
MW368.59 g/mol
LogP6.66
Rot. Bonds10

About (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one

(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one (PubChem CID 101269774) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one.

Molecular Properties

Compound Name(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
PubChem CID101269774
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
SMILESCC[C@H](C(=O)c1ccccc1)[C@H](O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-5-21(22(24)19-15-11-9-12-16-19)23(20-17-13-10-14-18-20)25-26(6-2,7-3)8-4/h9-18,21,23H,5-8H2,1-4H3/t21-,23-/m1/s1
InChIKeyIOHBQDJMVVOZDW-FYYLOGMGSA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 56.66
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

ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate
CID 132570563
2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione
CID 173016396
(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one
CID 122219287
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
2-ethyl-3-phenylpentanamide
CID 59893710
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
2-[2-phenoxyethoxy(phenyl)methyl]butanoic acid
CID 91113371
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
(2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one
CID 101257345

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one?
The IUPAC name of (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one (CID 101269774) is (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one.
What is the SMILES notation for (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one?
The canonical SMILES for (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one is CC[C@H](C(=O)c1ccccc1)[C@H](O[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one?
The InChIKey is IOHBQDJMVVOZDW-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-5-21(22(24)19-15-11-9-12-16-19)23(20-17-13-10-14-18-20)25-26(6-2,7-3)8-4/h9-18,21,23H,5-8H2,1-4H3/t21-,23-/m1/s1.
What are the key properties of (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one?
(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one has a molecular weight of 368.59 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one is sourced from PubChem (CID 101269774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).