zinc bis(N,N-diethylcarbamodiselenoate)

C10H20N2Se4Zn — CID 101233041

IUPACzinc bis(N,N-diethylcarbamodiselenoate)
SMILESCCN(CC)C(=[Se])[Se-].CCN(CC)C(=[Se])[Se-].[Zn+2]
InChIInChI=1S/2C5H11NSe2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKeyZDRKVUOSNHBWOO-UHFFFAOYSA-L
MW549.51 g/mol
LogP-0.50
Rot. Bonds6

About zinc bis(N,N-diethylcarbamodiselenoate)

zinc bis(N,N-diethylcarbamodiselenoate) (PubChem CID 101233041) has the molecular formula C10H20N2Se4Zn and a molecular weight of 549.51 g/mol. Its IUPAC name is zinc bis(N,N-diethylcarbamodiselenoate).

Molecular Properties

Compound Namezinc bis(N,N-diethylcarbamodiselenoate)
PubChem CID101233041
Molecular FormulaC10H20N2Se4Zn
Molecular Weight549.51 g/mol
Exact Mass551.76
IUPAC Namezinc bis(N,N-diethylcarbamodiselenoate)
SMILESCCN(CC)C(=[Se])[Se-].CCN(CC)C(=[Se])[Se-].[Zn+2]
InChIInChI=1S/2C5H11NSe2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKeyZDRKVUOSNHBWOO-UHFFFAOYSA-L
XLogP-0.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.51
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(N,N-diethylcarbamodiselenoate)?
The IUPAC name of zinc bis(N,N-diethylcarbamodiselenoate) (CID 101233041) is zinc bis(N,N-diethylcarbamodiselenoate).
What is the SMILES notation for zinc bis(N,N-diethylcarbamodiselenoate)?
The canonical SMILES for zinc bis(N,N-diethylcarbamodiselenoate) is CCN(CC)C(=[Se])[Se-].CCN(CC)C(=[Se])[Se-].[Zn+2].
What is the InChIKey of zinc bis(N,N-diethylcarbamodiselenoate)?
The InChIKey is ZDRKVUOSNHBWOO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H11NSe2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2.
What are the key properties of zinc bis(N,N-diethylcarbamodiselenoate)?
zinc bis(N,N-diethylcarbamodiselenoate) has a molecular weight of 549.51 g/mol, XLogP of -0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(N,N-diethylcarbamodiselenoate) is sourced from PubChem (CID 101233041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).