(diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate

C10H20N2Se5 — CID 11017193

IUPAC(diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate
SMILESCCN(CC)C(=[Se])[Se][Se][Se]C(=[Se])N(CC)CC
InChIInChI=1S/C10H20N2Se5/c1-5-11(6-2)9(13)15-17-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyYLTWZWGBKQVMFZ-UHFFFAOYSA-N
MW563.08 g/mol
LogP-0.88
Rot. Bonds10

About (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate

(diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate (PubChem CID 11017193) has the molecular formula C10H20N2Se5 and a molecular weight of 563.08 g/mol. Its IUPAC name is (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate.

Molecular Properties

Compound Name(diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate
PubChem CID11017193
Molecular FormulaC10H20N2Se5
Molecular Weight563.08 g/mol
Exact Mass567.75
IUPAC Name(diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate
SMILESCCN(CC)C(=[Se])[Se][Se][Se]C(=[Se])N(CC)CC
InChIInChI=1S/C10H20N2Se5/c1-5-11(6-2)9(13)15-17-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyYLTWZWGBKQVMFZ-UHFFFAOYSA-N
XLogP-0.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.08
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(N,N-diethylcarbamodiselenoate)
CID 101233041
potassium N,N-diethylcarbamodiselenoate
CID 158172658
1-N,1-N,1-N',1-N',2-N,2-N,2-N',2-N'-octaethylethene-1,1,2,2-tetramine
CID 101365533
diethylazanium;N,N-diethylcarbamodiselenoate
CID 134889980
1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
1,3-diethyl-1,3-dimethylselenourea
CID 134989232
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
CID 21059295
CID 21059295
N,N-diethylpropanethioamide
CID 638150
N,N-diethylcarbamodithioate
CID 28343
O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate
CID 140514476
diethylcarbamoyl-oxido-oxophosphanium
CID 6386758

Frequently Asked Questions

What is the IUPAC name of (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate?
The IUPAC name of (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate (CID 11017193) is (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate.
What is the SMILES notation for (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate?
The canonical SMILES for (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate is CCN(CC)C(=[Se])[Se][Se][Se]C(=[Se])N(CC)CC.
What is the InChIKey of (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate?
The InChIKey is YLTWZWGBKQVMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2Se5/c1-5-11(6-2)9(13)15-17-16-10(14)12(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate?
(diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate has a molecular weight of 563.08 g/mol, XLogP of -0.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (diethylcarbamoselenoyldiselanyl) N,N-diethylcarbamodiselenoate is sourced from PubChem (CID 11017193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).