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

C18H30OSi — CID 101122163

IUPAC2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one
SMILESCCCCC(C(=O)c1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30OSi/c1-7-8-14-16(20(5,6)18(2,3)4)17(19)15-12-10-9-11-13-15/h9-13,16H,7-8,14H2,1-6H3
InChIKeyNEGPSWABKSTWOF-UHFFFAOYSA-N
MW290.52 g/mol
LogP5.94
Rot. Bonds6

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

2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one (PubChem CID 101122163) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one
PubChem CID101122163
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one
SMILESCCCCC(C(=O)c1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30OSi/c1-7-8-14-16(20(5,6)18(2,3)4)17(19)15-12-10-9-11-13-15/h9-13,16H,7-8,14H2,1-6H3
InChIKeyNEGPSWABKSTWOF-UHFFFAOYSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.94
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

2-(2-chloroethyl)-1-phenylhexan-1-one
CID 154318606
2-pentyl-1-phenylheptan-1-one
CID 67882345
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
2-fluoro-1-phenylhexan-1-one
CID 165359070
3-chloro-1-phenylheptan-1-one
CID 11775823
benzoic acid;decan-5-ol
CID 71345643
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
1-phenyl-2-sulfanyldecan-1-one
CID 86186359
benzoic acid;2-ethylhexanoic acid;propanoic acid
CID 166709274
N-(1-chloropentyl)benzamide
CID 154358932
tert-butyl (2R)-2-(benzhydrylideneamino)hexanoate
CID 102116067
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one (CID 101122163) is 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one is CCCCC(C(=O)c1ccccc1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one?
The InChIKey is NEGPSWABKSTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OSi/c1-7-8-14-16(20(5,6)18(2,3)4)17(19)15-12-10-9-11-13-15/h9-13,16H,7-8,14H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one?
2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one has a molecular weight of 290.52 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one is sourced from PubChem (CID 101122163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).