1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one

C16H23AsO2 — CID 12633123

IUPAC1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[As](C(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H23AsO2/c1-15(2,3)13(18)17(14(19)16(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyXCFRQNNNMBNCAI-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.70
Rot. Bonds3

About 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one

1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one (PubChem CID 12633123) has the molecular formula C16H23AsO2 and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one
PubChem CID12633123
Molecular FormulaC16H23AsO2
Molecular Weight322.28 g/mol
Exact Mass322.09
IUPAC Name1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[As](C(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H23AsO2/c1-15(2,3)13(18)17(14(19)16(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyXCFRQNNNMBNCAI-UHFFFAOYSA-N
XLogP2.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.70
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

(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid
CID 174415420
tert-butyl benzoate
CID 135038599
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
3-amino-3-phenylpentane-2,4-dione
CID 70119036
ethane;2-methylpropan-2-ol;1-phenylethanone
CID 91393199
ethane;1-phenylethanone;2,2,3,3-tetramethylbutane
CID 157312693
benzoic acid;ethane;ethene
CID 143334069
2,2-dimethylpropane;diphenylmethanone
CID 159191976
3,3-dimethyl-1-phenylselanylbutan-2-one
CID 11357271
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one (CID 12633123) is 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)[As](C(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one?
The InChIKey is XCFRQNNNMBNCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23AsO2/c1-15(2,3)13(18)17(14(19)16(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3.
What are the key properties of 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one?
1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one has a molecular weight of 322.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropanoyl(phenyl)arsanyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 12633123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).