(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one

C14H30O2Si — CID 15635930

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one
SMILESCCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-10-11(15)12(13(2,3)4)16-17(8,9)14(5,6)7/h12H,10H2,1-9H3/t12-/m1/s1
InChIKeyJLQZAJORGAJEBC-GFCCVEGCSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds4

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one (PubChem CID 15635930) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one
PubChem CID15635930
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one
SMILESCCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-10-11(15)12(13(2,3)4)16-17(8,9)14(5,6)7/h12H,10H2,1-9H3/t12-/m1/s1
InChIKeyJLQZAJORGAJEBC-GFCCVEGCSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.40
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

3-[Tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 21195366
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 10488938
3-Pentanone, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)-
CID 11009378
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
CID 11593815
(s)-4-Trimethylsilyloxy-5,5-dimethyl-3-hexanone
CID 12641556
(2R)-2-{[tert-Butyl(dimethyl)silyl]oxy}pentan-3-one
CID 56590592
3-Tert-butyldimethylsiloxy-propionaldehyde
CID 87127596
(3S)-5-methyl-3-triethylsilyloxyhexan-2-one
CID 134835603
(3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 134841249
3-[Tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 14861395
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 18653741
2-Methyl-4-trimethylsilyloxypentan-3-one
CID 20775521

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one (CID 15635930) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one is CCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one?
The InChIKey is JLQZAJORGAJEBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-10-11(15)12(13(2,3)4)16-17(8,9)14(5,6)7/h12H,10H2,1-9H3/t12-/m1/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one has a molecular weight of 258.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-3-one is sourced from PubChem (CID 15635930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).