2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one

C17H34O2Si — CID 15834327

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one
SMILESCC(CCCC1CCCCC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-14(19-20(5,6)17(2,3)4)10-9-12-15-11-7-8-13-16(15)18/h14-15H,7-13H2,1-6H3
InChIKeyQXFYCODWDLNKOJ-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.33
Rot. Bonds6

About 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one

2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one (PubChem CID 15834327) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one
PubChem CID15834327
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one
SMILESCC(CCCC1CCCCC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-14(19-20(5,6)17(2,3)4)10-9-12-15-11-7-8-13-16(15)18/h14-15H,7-13H2,1-6H3
InChIKeyQXFYCODWDLNKOJ-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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(4-(2-((tert-Butyl(dimethyl)silyl)oxy)-4-oxocyclopentyl)butyl)-4-isopropylcyclohexanone
CID 496447
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
1,2-Dicyclohexyl-2-trimethylsilyloxyethanone
CID 10590062
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11807310
(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
(1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one
CID 150817053
(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 11065998
trans-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11097207

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one (CID 15834327) is 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one is CC(CCCC1CCCCC1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one?
The InChIKey is QXFYCODWDLNKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-14(19-20(5,6)17(2,3)4)10-9-12-15-11-7-8-13-16(15)18/h14-15H,7-13H2,1-6H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-1-one?
2-[4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohexan-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]oxypentyl]cyclohexan-1-one is sourced from PubChem (CID 15834327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).