2-(1-phenylpropan-2-yldiselanyl)propylbenzene

C18H22Se2 — CID 10430842

IUPAC2-(1-phenylpropan-2-yldiselanyl)propylbenzene
SMILESCC(Cc1ccccc1)[Se][Se]C(C)Cc1ccccc1
InChIInChI=1S/C18H22Se2/c1-15(13-17-9-5-3-6-10-17)19-20-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyRJQNSYGENMHYIP-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.41
Rot. Bonds7

About 2-(1-phenylpropan-2-yldiselanyl)propylbenzene

2-(1-phenylpropan-2-yldiselanyl)propylbenzene (PubChem CID 10430842) has the molecular formula C18H22Se2 and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(1-phenylpropan-2-yldiselanyl)propylbenzene.

Molecular Properties

Compound Name2-(1-phenylpropan-2-yldiselanyl)propylbenzene
PubChem CID10430842
Molecular FormulaC18H22Se2
Molecular Weight396.29 g/mol
Exact Mass398.01
IUPAC Name2-(1-phenylpropan-2-yldiselanyl)propylbenzene
SMILESCC(Cc1ccccc1)[Se][Se]C(C)Cc1ccccc1
InChIInChI=1S/C18H22Se2/c1-15(13-17-9-5-3-6-10-17)19-20-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyRJQNSYGENMHYIP-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutylbenzene
CID 12054035
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
ethane;2-methylpropylbenzene
CID 162200929
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-methyl-4-phenylbutane-1,3-diamine
CID 20848308
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2-benzyl-3-methylbutyl)benzene
CID 22277918
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
azane;1-phenylpropan-2-amine
CID 67350534
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
2-(1-phenylpropan-2-ylsulfanyl)propylbenzene
CID 54020094
(3-bromo-2,4-dimethylpentyl)benzene
CID 79298231

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropan-2-yldiselanyl)propylbenzene?
The IUPAC name of 2-(1-phenylpropan-2-yldiselanyl)propylbenzene (CID 10430842) is 2-(1-phenylpropan-2-yldiselanyl)propylbenzene.
What is the SMILES notation for 2-(1-phenylpropan-2-yldiselanyl)propylbenzene?
The canonical SMILES for 2-(1-phenylpropan-2-yldiselanyl)propylbenzene is CC(Cc1ccccc1)[Se][Se]C(C)Cc1ccccc1.
What is the InChIKey of 2-(1-phenylpropan-2-yldiselanyl)propylbenzene?
The InChIKey is RJQNSYGENMHYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Se2/c1-15(13-17-9-5-3-6-10-17)19-20-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 2-(1-phenylpropan-2-yldiselanyl)propylbenzene?
2-(1-phenylpropan-2-yldiselanyl)propylbenzene has a molecular weight of 396.29 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropan-2-yldiselanyl)propylbenzene is sourced from PubChem (CID 10430842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).