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

C12H26O2Si — CID 21195366

IUPAC3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C12H26O2Si/c1-8-9-11(10(2)13)14-15(6,7)12(3,4)5/h11H,8-9H2,1-7H3
InChIKeyRZTUIVHTERBUDU-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds5

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

3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one (PubChem CID 21195366) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
PubChem CID21195366
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C12H26O2Si/c1-8-9-11(10(2)13)14-15(6,7)12(3,4)5/h11H,8-9H2,1-7H3
InChIKeyRZTUIVHTERBUDU-UHFFFAOYSA-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

2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
(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
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
2-(tert-Butyldimethylsilyloxy)cyclohexanone
CID 11195546
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10822006
3-Pentanone, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)-
CID 11009378
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhexan-3-one
CID 11593815

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one (CID 21195366) is 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one is CCCC(O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
The InChIKey is RZTUIVHTERBUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-9-11(10(2)13)14-15(6,7)12(3,4)5/h11H,8-9H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one?
3-[tert-butyl(dimethyl)silyl]oxyhexan-2-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 3-[tert-butyl(dimethyl)silyl]oxyhexan-2-one is sourced from PubChem (CID 21195366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).