4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one

C19H22OSe2 — CID 13053440

IUPAC4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one
SMILESC[Se]C(C)([Se]C)C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22OSe2/c1-19(21-2,22-3)17(15-10-6-4-7-11-15)14-18(20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyPIRIBXXQKZEEOD-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.68
Rot. Bonds7

About 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one

4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one (PubChem CID 13053440) has the molecular formula C19H22OSe2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one.

Molecular Properties

Compound Name4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one
PubChem CID13053440
Molecular FormulaC19H22OSe2
Molecular Weight424.30 g/mol
Exact Mass426.00
IUPAC Name4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one
SMILESC[Se]C(C)([Se]C)C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22OSe2/c1-19(21-2,22-3)17(15-10-6-4-7-11-15)14-18(20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyPIRIBXXQKZEEOD-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.68
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

4-hydroxy-1,3,4,4-tetraphenylbutan-1-one
CID 91703942
4-methyl-4-nitro-1,3,5-triphenylpentan-1-one
CID 13227157
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
2-bromo-2-[(1R)-3-(4-methylphenyl)-3-oxo-1-phenylpropyl]propanedinitrile
CID 7728242
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
(3R)-1,3-diphenylpentan-1-one
CID 11042799
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
3-amino-4,4-dimethyl-1-phenylpentan-1-one
CID 116608460
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537
2,2-dimethyl-N-(3-oxo-1,3-diphenylpropyl)propanamide
CID 11120437
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one?
The IUPAC name of 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one (CID 13053440) is 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one.
What is the SMILES notation for 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one?
The canonical SMILES for 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one is C[Se]C(C)([Se]C)C(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one?
The InChIKey is PIRIBXXQKZEEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OSe2/c1-19(21-2,22-3)17(15-10-6-4-7-11-15)14-18(20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one?
4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one has a molecular weight of 424.30 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one is sourced from PubChem (CID 13053440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).