bis(1-phenylethylselanyl)methanone

C17H18OSe2 — CID 141086634

IUPACbis(1-phenylethylselanyl)methanone
SMILESCC([Se]C(=O)[Se]C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OSe2/c1-13(15-9-5-3-6-10-15)19-17(18)20-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyPTOKGZXYLQNCBV-UHFFFAOYSA-N
MW396.25 g/mol
LogP4.04
Rot. Bonds6

About bis(1-phenylethylselanyl)methanone

bis(1-phenylethylselanyl)methanone (PubChem CID 141086634) has the molecular formula C17H18OSe2 and a molecular weight of 396.25 g/mol. Its IUPAC name is bis(1-phenylethylselanyl)methanone.

Molecular Properties

Compound Namebis(1-phenylethylselanyl)methanone
PubChem CID141086634
Molecular FormulaC17H18OSe2
Molecular Weight396.25 g/mol
Exact Mass397.97
IUPAC Namebis(1-phenylethylselanyl)methanone
SMILESCC([Se]C(=O)[Se]C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OSe2/c1-13(15-9-5-3-6-10-15)19-17(18)20-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyPTOKGZXYLQNCBV-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 54.04
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

acetic acid;cumene
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2-phenylpropanoic acid;hydrate
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methane;(2R)-2-phenylpropanoic acid
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2-phenylpropanoic acid;dihydrochloride
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(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
cumene;hydrogen peroxide
CID 21225480
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
1,1-dihydroperoxypropan-2-ylbenzene
CID 135041472
2-methyl-3-phenylbutanoic acid
CID 29759
(1S)-1-phenylethanol
CID 157125626
potassium trifluoro(2-phenylpropanoyl)boranuide
CID 154711234

Frequently Asked Questions

What is the IUPAC name of bis(1-phenylethylselanyl)methanone?
The IUPAC name of bis(1-phenylethylselanyl)methanone (CID 141086634) is bis(1-phenylethylselanyl)methanone.
What is the SMILES notation for bis(1-phenylethylselanyl)methanone?
The canonical SMILES for bis(1-phenylethylselanyl)methanone is CC([Se]C(=O)[Se]C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of bis(1-phenylethylselanyl)methanone?
The InChIKey is PTOKGZXYLQNCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OSe2/c1-13(15-9-5-3-6-10-15)19-17(18)20-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of bis(1-phenylethylselanyl)methanone?
bis(1-phenylethylselanyl)methanone has a molecular weight of 396.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-phenylethylselanyl)methanone is sourced from PubChem (CID 141086634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).