(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one

C12H26O2Si — CID 11593815

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
SMILESCCCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyVGASTOREMBJCSF-JTQLQIEISA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds5

About (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one

(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one (PubChem CID 11593815) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
PubChem CID11593815
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
SMILESCCCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyVGASTOREMBJCSF-JTQLQIEISA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
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

5-[(Tert-butyldimethylsilyl)oxy]pentan-2-one
CID 10680263
1-((Tert-butyldimethylsilyl)oxy)hexan-3-one
CID 58354548
2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
3-[Tert-butyl(dimethyl)silyl]oxyhexan-2-one
CID 21195366
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 10488938
2-Hexanone, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10922346
1-[Tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 11310202
(S)-3,5-di-(tert-butyldimethylsilyloxy)-pentan-2-one
CID 11782967
1-Trimethylsilyloxyhexan-2-one
CID 13610760
1-[Tert-butyl(dimethyl)silyl]oxypentane-2,4-dione
CID 59748577
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one (CID 11593815) is (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one is CCCC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
The InChIKey is VGASTOREMBJCSF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-9-11(13)10(2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one?
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one has a molecular weight of 230.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one is sourced from PubChem (CID 11593815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).