(4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one

C16H26O3Si — CID 101075438

IUPAC(4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-12-14(17)11-15(18)13-9-7-6-8-10-13/h6-10,15,18H,11-12H2,1-5H3/t15-/m0/s1
InChIKeySFBXBUHQTAVFQG-HNNXBMFYSA-N
MW294.47 g/mol
LogP3.70
Rot. Bonds6

About (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one

(4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one (PubChem CID 101075438) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one.

Molecular Properties

Compound Name(4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one
PubChem CID101075438
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-12-14(17)11-15(18)13-9-7-6-8-10-13/h6-10,15,18H,11-12H2,1-5H3/t15-/m0/s1
InChIKeySFBXBUHQTAVFQG-HNNXBMFYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-hydroxy-1-phenylpropan-2-one
CID 9815225
1-Hydroxy-1-phenyl-2-propanone
CID 92733
Stk329392
CID 11041240
Phenylacetylcarbinol, (-)-
CID 9920426
1-Hydroxy-1,5-diphenylpentan-3-one
CID 11747173
2-((Tert-butyldimethylsilyl)oxy)-2-phenylacetaldehyde
CID 10890342
4-Hydroxy-1,4-diphenyl-2-butanone
CID 12847684
1-Hydroxy-1,6-diphenylhexan-3-one
CID 44585754
2-Butanone, 4-hydroxy-4-phenyl-
CID 10920854
4-Hydroxy-3-methyl-4-phenyl-2-butanone
CID 12644628
1-Hydroxy-1-phenyl-3-hexadecanone
CID 131751841
1-Hydroxy-1-phenyl-3-octadecanone
CID 131751844

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one?
The IUPAC name of (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one (CID 101075438) is (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one.
What is the SMILES notation for (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one?
The canonical SMILES for (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one is CC(C)(C)[Si](C)(C)OCC(=O)C[C@H](O)c1ccccc1.
What is the InChIKey of (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one?
The InChIKey is SFBXBUHQTAVFQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-12-14(17)11-15(18)13-9-7-6-8-10-13/h6-10,15,18H,11-12H2,1-5H3/t15-/m0/s1.
What are the key properties of (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one?
(4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one has a molecular weight of 294.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-phenylbutan-2-one is sourced from PubChem (CID 101075438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).