4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one

C17H36O2Si — CID 135076388

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
SMILESCCCCCCC(CO[Si](C)(C)C(C)(C)C)CC(C)=O
InChIInChI=1S/C17H36O2Si/c1-8-9-10-11-12-16(13-15(2)18)14-19-20(6,7)17(3,4)5/h16H,8-14H2,1-7H3
InChIKeyIACIXWPHSHUDRK-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.57
Rot. Bonds10

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one (PubChem CID 135076388) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
PubChem CID135076388
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
SMILESCCCCCCC(CO[Si](C)(C)C(C)(C)C)CC(C)=O
InChIInChI=1S/C17H36O2Si/c1-8-9-10-11-12-16(13-15(2)18)14-19-20(6,7)17(3,4)5/h16H,8-14H2,1-7H3
InChIKeyIACIXWPHSHUDRK-UHFFFAOYSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.57
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
(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
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-methylcyclohexan-1-one
CID 11312577
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
(3R,7R,11R,15R)-1,16-Bis(tert-butyldimethylsilyloxy)-11-hydroxy-3,7,11,15-tetramethyl-4-hexadecanone
CID 23727962
(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
(6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 46197383

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one (CID 135076388) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one is CCCCCCC(CO[Si](C)(C)C(C)(C)C)CC(C)=O.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one?
The InChIKey is IACIXWPHSHUDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-8-9-10-11-12-16(13-15(2)18)14-19-20(6,7)17(3,4)5/h16H,8-14H2,1-7H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one has a molecular weight of 300.56 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one is sourced from PubChem (CID 135076388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).