2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one

C17H34O2Si — CID 11312577

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
SMILESCC1(CCCCO[Si](C)(C)C(C)(C)C)CCCCC1=O
InChIInChI=1S/C17H34O2Si/c1-16(2,3)20(5,6)19-14-10-9-13-17(4)12-8-7-11-15(17)18/h7-14H2,1-6H3
InChIKeyFOTNYXRIRACUID-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.33
Rot. Bonds6

About 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one

2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one (PubChem CID 11312577) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
PubChem CID11312577
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
SMILESCC1(CCCCO[Si](C)(C)C(C)(C)C)CCCCC1=O
InChIInChI=1S/C17H34O2Si/c1-16(2,3)20(5,6)19-14-10-9-13-17(4)12-8-7-11-15(17)18/h7-14H2,1-6H3
InChIKeyFOTNYXRIRACUID-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
Tri(propan-2-yl)silyl 5-(1-methyl-3-oxocyclohexyl)pentanoate
CID 162401343
(1R,3aR,7aR)-1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11174748
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(-)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl))-4,4-dimethylcyclohexanone
CID 57336727
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
(+)-(R)-3-(4-((tert-Butyldimethylsilyl)oxy)butyl)-3-methylcyclohexanone
CID 131746606
(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
(1R,3aR,7aR)-1-[(2S)-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 58907925
(4aS,5R,6R,8aS)-5,6,8a-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 10572730
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one (CID 11312577) is 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one is CC1(CCCCO[Si](C)(C)C(C)(C)C)CCCCC1=O.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one?
The InChIKey is FOTNYXRIRACUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-16(2,3)20(5,6)19-14-10-9-13-17(4)12-8-7-11-15(17)18/h7-14H2,1-6H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one?
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one has a molecular weight of 298.54 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one is sourced from PubChem (CID 11312577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).