dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate

C9H12O4Se — CID 10849124

IUPACdimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate
SMILESCOC(=O)C1=CCCC(C(=O)OC)[Se]1
InChIInChI=1S/C9H12O4Se/c1-12-8(10)6-4-3-5-7(14-6)9(11)13-2/h4,7H,3,5H2,1-2H3
InChIKeyRCHMMBCVZQSAAJ-UHFFFAOYSA-N
MW263.15 g/mol
LogP0.50
Rot. Bonds2

About dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate

dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate (PubChem CID 10849124) has the molecular formula C9H12O4Se and a molecular weight of 263.15 g/mol. Its IUPAC name is dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate
PubChem CID10849124
Molecular FormulaC9H12O4Se
Molecular Weight263.15 g/mol
Exact Mass263.99
IUPAC Namedimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate
SMILESCOC(=O)C1=CCCC(C(=O)OC)[Se]1
InChIInChI=1S/C9H12O4Se/c1-12-8(10)6-4-3-5-7(14-6)9(11)13-2/h4,7H,3,5H2,1-2H3
InChIKeyRCHMMBCVZQSAAJ-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate?
The IUPAC name of dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate (CID 10849124) is dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate?
The canonical SMILES for dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate is COC(=O)C1=CCCC(C(=O)OC)[Se]1.
What is the InChIKey of dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate?
The InChIKey is RCHMMBCVZQSAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4Se/c1-12-8(10)6-4-3-5-7(14-6)9(11)13-2/h4,7H,3,5H2,1-2H3.
What are the key properties of dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate?
dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate has a molecular weight of 263.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate is sourced from PubChem (CID 10849124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).