(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one

C19H32O2Si — CID 102367475

IUPAC(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one
SMILESCC(=O)C[C@](C)(CCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32O2Si/c1-16(20)15-19(5,17-11-9-8-10-12-17)13-14-21-22(6,7)18(2,3)4/h8-12H,13-15H2,1-7H3/t19-/m0/s1
InChIKeyZELOHDLDTGJZAO-IBGZPJMESA-N
MW320.55 g/mol
LogP5.34
Rot. Bonds7

About (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one

(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one (PubChem CID 102367475) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one.

Molecular Properties

Compound Name(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one
PubChem CID102367475
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one
SMILESCC(=O)C[C@](C)(CCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32O2Si/c1-16(20)15-19(5,17-11-9-8-10-12-17)13-14-21-22(6,7)18(2,3)4/h8-12H,13-15H2,1-7H3/t19-/m0/s1
InChIKeyZELOHDLDTGJZAO-IBGZPJMESA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.34
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

1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
CID 59835981
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
CID 156621112
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812
methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 102407675
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
CID 46848785
1-[tert-butyl(dimethyl)silyl]oxy-5-chloro-4-hydroxy-4-phenylpentan-2-one
CID 100965617
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
methyl (2E)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 101432797
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217

Frequently Asked Questions

What is the IUPAC name of (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one?
The IUPAC name of (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one (CID 102367475) is (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one.
What is the SMILES notation for (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one?
The canonical SMILES for (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one is CC(=O)C[C@](C)(CCO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one?
The InChIKey is ZELOHDLDTGJZAO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32O2Si/c1-16(20)15-19(5,17-11-9-8-10-12-17)13-14-21-22(6,7)18(2,3)4/h8-12H,13-15H2,1-7H3/t19-/m0/s1.
What are the key properties of (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one?
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one has a molecular weight of 320.55 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one is sourced from PubChem (CID 102367475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).