(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one

C17H28O3Si — CID 10638570

IUPAC(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C[C@H](O)c1ccccc1
InChIInChI=1S/C17H28O3Si/c1-13(20-21(5,6)17(2,3)4)15(18)12-16(19)14-10-8-7-9-11-14/h7-11,13,16,19H,12H2,1-6H3/t13-,16-/m0/s1
InChIKeyOXGKQRJMJITLGU-BBRMVZONSA-N
MW308.49 g/mol
LogP4.09
Rot. Bonds6

About (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one (PubChem CID 10638570) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one.

Molecular Properties

Compound Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one
PubChem CID10638570
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C[C@H](O)c1ccccc1
InChIInChI=1S/C17H28O3Si/c1-13(20-21(5,6)17(2,3)4)15(18)12-16(19)14-10-8-7-9-11-14/h7-11,13,16,19H,12H2,1-6H3/t13-,16-/m0/s1
InChIKeyOXGKQRJMJITLGU-BBRMVZONSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.09
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
2-(Hydroxy-phenyl-methyl)-cyclohexanone
CID 566736
1-Hydroxy-1-phenyl-3-hexadecanone
CID 131751841

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one?
The IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one (CID 10638570) is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one.
What is the SMILES notation for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one?
The canonical SMILES for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one is C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C[C@H](O)c1ccccc1.
What is the InChIKey of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one?
The InChIKey is OXGKQRJMJITLGU-BBRMVZONSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-13(20-21(5,6)17(2,3)4)15(18)12-16(19)14-10-8-7-9-11-14/h7-11,13,16,19H,12H2,1-6H3/t13-,16-/m0/s1.
What are the key properties of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one?
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one has a molecular weight of 308.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpentan-3-one is sourced from PubChem (CID 10638570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).