4,4-dimethyl-1-phenylselanylpent-1-yn-3-one

C13H14OSe — CID 15373265

IUPAC4,4-dimethyl-1-phenylselanylpent-1-yn-3-one
SMILESCC(C)(C)C(=O)C#C[Se]c1ccccc1
InChIInChI=1S/C13H14OSe/c1-13(2,3)12(14)9-10-15-11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyYCQZCMXVQJVHDB-UHFFFAOYSA-N
MW265.21 g/mol
LogP1.59
Rot. Bonds1

About 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one

4,4-dimethyl-1-phenylselanylpent-1-yn-3-one (PubChem CID 15373265) has the molecular formula C13H14OSe and a molecular weight of 265.21 g/mol. Its IUPAC name is 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-phenylselanylpent-1-yn-3-one
PubChem CID15373265
Molecular FormulaC13H14OSe
Molecular Weight265.21 g/mol
Exact Mass266.02
IUPAC Name4,4-dimethyl-1-phenylselanylpent-1-yn-3-one
SMILESCC(C)(C)C(=O)C#C[Se]c1ccccc1
InChIInChI=1S/C13H14OSe/c1-13(2,3)12(14)9-10-15-11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyYCQZCMXVQJVHDB-UHFFFAOYSA-N
XLogP1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-phenylselanylbutan-2-one
CID 11357271
2,2-dimethylpropane;diphenylmethanone
CID 159191976
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
2-phenylselanylethynylsulfanylbenzene
CID 14640001
tert-butylselanylbenzene
CID 11171880
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2,2-dimethyl-1-(1-phenacylpyridin-1-ium-4-yl)propan-1-one
CID 139732290
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
CID 87732165
CID 87732165
1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one
CID 135043969
2-methyl-2-(tritylamino)propanoic acid
CID 71215938

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one?
The IUPAC name of 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one (CID 15373265) is 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one.
What is the SMILES notation for 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one?
The canonical SMILES for 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one is CC(C)(C)C(=O)C#C[Se]c1ccccc1.
What is the InChIKey of 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one?
The InChIKey is YCQZCMXVQJVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OSe/c1-13(2,3)12(14)9-10-15-11-7-5-4-6-8-11/h4-8H,1-3H3.
What are the key properties of 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one?
4,4-dimethyl-1-phenylselanylpent-1-yn-3-one has a molecular weight of 265.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-phenylselanylpent-1-yn-3-one is sourced from PubChem (CID 15373265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).