diethyl 4H-selenopyran-2,6-dicarboxylate

C11H14O4Se — CID 10661071

IUPACdiethyl 4H-selenopyran-2,6-dicarboxylate
SMILESCCOC(=O)C1=CCC=C(C(=O)OCC)[Se]1
InChIInChI=1S/C11H14O4Se/c1-3-14-10(12)8-6-5-7-9(16-8)11(13)15-4-2/h6-7H,3-5H2,1-2H3
InChIKeyRUYZSLKUWBLPNV-UHFFFAOYSA-N
MW289.19 g/mol
LogP0.99
Rot. Bonds4

About diethyl 4H-selenopyran-2,6-dicarboxylate

diethyl 4H-selenopyran-2,6-dicarboxylate (PubChem CID 10661071) has the molecular formula C11H14O4Se and a molecular weight of 289.19 g/mol. Its IUPAC name is diethyl 4H-selenopyran-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4H-selenopyran-2,6-dicarboxylate
PubChem CID10661071
Molecular FormulaC11H14O4Se
Molecular Weight289.19 g/mol
Exact Mass290.01
IUPAC Namediethyl 4H-selenopyran-2,6-dicarboxylate
SMILESCCOC(=O)C1=CCC=C(C(=O)OCC)[Se]1
InChIInChI=1S/C11H14O4Se/c1-3-14-10(12)8-6-5-7-9(16-8)11(13)15-4-2/h6-7H,3-5H2,1-2H3
InChIKeyRUYZSLKUWBLPNV-UHFFFAOYSA-N
XLogP0.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 11389679
CID 11389679
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
CID 11389678
CID 11389678
ethyl 1,3-selenazole-5-carboxylate
CID 141442834
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
diethyl imidazole-1,2-dicarboxylate
CID 23185165
diethyl cyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 66809592
2-(3-ethoxycarbonylpyrazol-1-yl)-2-methylpropanoic acid
CID 122171661
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
2-ethoxycarbonyl-3H-pyrrole-4-carboxylic acid
CID 58278577

Frequently Asked Questions

What is the IUPAC name of diethyl 4H-selenopyran-2,6-dicarboxylate?
The IUPAC name of diethyl 4H-selenopyran-2,6-dicarboxylate (CID 10661071) is diethyl 4H-selenopyran-2,6-dicarboxylate.
What is the SMILES notation for diethyl 4H-selenopyran-2,6-dicarboxylate?
The canonical SMILES for diethyl 4H-selenopyran-2,6-dicarboxylate is CCOC(=O)C1=CCC=C(C(=O)OCC)[Se]1.
What is the InChIKey of diethyl 4H-selenopyran-2,6-dicarboxylate?
The InChIKey is RUYZSLKUWBLPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4Se/c1-3-14-10(12)8-6-5-7-9(16-8)11(13)15-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of diethyl 4H-selenopyran-2,6-dicarboxylate?
diethyl 4H-selenopyran-2,6-dicarboxylate has a molecular weight of 289.19 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4H-selenopyran-2,6-dicarboxylate is sourced from PubChem (CID 10661071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).