dimethyl 4H-selenopyran-2,6-dicarboxylate

C9H10O4Se — CID 10706508

IUPACdimethyl 4H-selenopyran-2,6-dicarboxylate
SMILESCOC(=O)C1=CCC=C(C(=O)OC)[Se]1
InChIInChI=1S/C9H10O4Se/c1-12-8(10)6-4-3-5-7(14-6)9(11)13-2/h4-5H,3H2,1-2H3
InChIKeyVOTGJOGGQRSRCZ-UHFFFAOYSA-N
MW261.13 g/mol
LogP0.21
Rot. Bonds2

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

dimethyl 4H-selenopyran-2,6-dicarboxylate (PubChem CID 10706508) has the molecular formula C9H10O4Se and a molecular weight of 261.13 g/mol. Its IUPAC name is dimethyl 4H-selenopyran-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4H-selenopyran-2,6-dicarboxylate
PubChem CID10706508
Molecular FormulaC9H10O4Se
Molecular Weight261.13 g/mol
Exact Mass261.97
IUPAC Namedimethyl 4H-selenopyran-2,6-dicarboxylate
SMILESCOC(=O)C1=CCC=C(C(=O)OC)[Se]1
InChIInChI=1S/C9H10O4Se/c1-12-8(10)6-4-3-5-7(14-6)9(11)13-2/h4-5H,3H2,1-2H3
InChIKeyVOTGJOGGQRSRCZ-UHFFFAOYSA-N
XLogP0.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 50.21
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

Methyl 2,5-heptadienoate
CID 122964
methyl (2E,5E)-hepta-2,5-dienoate
CID 6393835
dimethyl (2E,6E)-octa-2,6-dienedioate
CID 11106320
Methyl (2E,5Z)-2,5-heptadienoate
CID 131877834
diethyl 4H-selenopyran-2,6-dicarboxylate
CID 10661071
dimethyl 3,4-dihydro-2H-selenopyran-2,6-dicarboxylate
CID 10849124
methyl (Z)-2-methylselanyloct-2-enoate
CID 134931858
methyl (E)-2-methylselanyloct-2-enoate
CID 134986063
dimethyl (2E,5E)-4-(1,3-diselenol-2-ylidene)hepta-2,5-dienedioate
CID 11057932
Dimethyl 4-propan-2-ylideneselenopyran-2,6-dicarboxylate
CID 15880541
Dimethyl 4-oxohepta-2,5-dienedioate
CID 4126800
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209

Frequently Asked Questions

What is the IUPAC name of dimethyl 4H-selenopyran-2,6-dicarboxylate?
The IUPAC name of dimethyl 4H-selenopyran-2,6-dicarboxylate (CID 10706508) is dimethyl 4H-selenopyran-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4H-selenopyran-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4H-selenopyran-2,6-dicarboxylate is COC(=O)C1=CCC=C(C(=O)OC)[Se]1.
What is the InChIKey of dimethyl 4H-selenopyran-2,6-dicarboxylate?
The InChIKey is VOTGJOGGQRSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4Se/c1-12-8(10)6-4-3-5-7(14-6)9(11)13-2/h4-5H,3H2,1-2H3.
What are the key properties of dimethyl 4H-selenopyran-2,6-dicarboxylate?
dimethyl 4H-selenopyran-2,6-dicarboxylate has a molecular weight of 261.13 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4H-selenopyran-2,6-dicarboxylate is sourced from PubChem (CID 10706508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).