1-[tert-butyl(dimethyl)silyl]hexan-2-one

C12H26OSi — CID 15033607

IUPAC1-[tert-butyl(dimethyl)silyl]hexan-2-one
SMILESCCCCC(=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-7-8-9-11(13)10-14(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyOIMOQWHVAJVNGG-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.25
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]hexan-2-one

1-[tert-butyl(dimethyl)silyl]hexan-2-one (PubChem CID 15033607) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]hexan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]hexan-2-one
PubChem CID15033607
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1-[tert-butyl(dimethyl)silyl]hexan-2-one
SMILESCCCCC(=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-7-8-9-11(13)10-14(5,6)12(2,3)4/h7-10H2,1-6H3
InChIKeyOIMOQWHVAJVNGG-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, trimethyl(1-oxohexyl)-
CID 163012
(3R,5R)-3-[tert-butyl(dimethyl)silyl]-5-fluoroheptan-4-one
CID 15339846
(4R,6R)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339848
trans-(2R,6R)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
CID 15339851
4-(Trimethylsilyl)cyclohexanone
CID 4060849
3-Trimethylsilylcyclopentan-1-one
CID 14001618
6-Trimethylsilylhexan-4-one
CID 14112750
(3R,5S)-3-[tert-butyl(dimethyl)silyl]-5-fluoroheptan-4-one
CID 15339845
(4R,6S)-4-[tert-butyl(dimethyl)silyl]-6-fluorononan-5-one
CID 15339847
cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
CID 135055874
(2R)-2-[tert-butyl(dimethyl)silyl]cyclohexan-1-one
CID 11052982
1-Trimethylsilylpentan-2-one
CID 12457306

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]hexan-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]hexan-2-one (CID 15033607) is 1-[tert-butyl(dimethyl)silyl]hexan-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]hexan-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]hexan-2-one is CCCCC(=O)C[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]hexan-2-one?
The InChIKey is OIMOQWHVAJVNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-7-8-9-11(13)10-14(5,6)12(2,3)4/h7-10H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]hexan-2-one?
1-[tert-butyl(dimethyl)silyl]hexan-2-one has a molecular weight of 214.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]hexan-2-one is sourced from PubChem (CID 15033607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).