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

C13H26O2Si — CID 67592134

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one
SMILESCC1(O[Si](C)(C)C(C)(C)C)CCCCC1=O
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16(5,6)15-13(4)10-8-7-9-11(13)14/h7-10H2,1-6H3
InChIKeyLSKIXDLKZNNCIH-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.91
Rot. Bonds2

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

2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one (PubChem CID 67592134) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one
PubChem CID67592134
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one
SMILESCC1(O[Si](C)(C)C(C)(C)C)CCCCC1=O
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16(5,6)15-13(4)10-8-7-9-11(13)14/h7-10H2,1-6H3
InChIKeyLSKIXDLKZNNCIH-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.91
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

9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
(6R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 132820482
(2S)-2-tert-butyl-2-methylcyclopentan-1-one
CID 58159062
(1S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione
CID 177456194
2-[[tert-butyl(dimethyl)silyl]oxymethylidene]-4,4-dimethylcyclohexan-1-one
CID 67079204
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one
CID 134967649
2-anilinooxy-2-methylcycloheptan-1-one
CID 139972445
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]oxy-dimethylsilane
CID 141193020
(2S)-2-methyl-2-(trifluoromethyl)cyclohexan-1-one
CID 86314818
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575
9-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2,3,3a,6,7,8,9,10a-octahydro-1H-cyclopenta[9]annulene-5,10-dione
CID 10570034

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one (CID 67592134) is 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one is CC1(O[Si](C)(C)C(C)(C)C)CCCCC1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one?
The InChIKey is LSKIXDLKZNNCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(2,3)16(5,6)15-13(4)10-8-7-9-11(13)14/h7-10H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one?
2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one has a molecular weight of 242.43 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one is sourced from PubChem (CID 67592134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).