dimethyl dibenzotellurophene-3,7-dicarboxylate

C16H12O4Te — CID 162715291

IUPACdimethyl dibenzotellurophene-3,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)[te]c1cc(C(=O)OC)ccc12
InChIInChI=1S/C16H12O4Te/c1-19-15(17)9-3-5-11-12-6-4-10(16(18)20-2)8-14(12)21-13(11)7-9/h3-8H,1-2H3
InChIKeyLKHJMLUKUMFZRA-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.62
Rot. Bonds2

About dimethyl dibenzotellurophene-3,7-dicarboxylate

dimethyl dibenzotellurophene-3,7-dicarboxylate (PubChem CID 162715291) has the molecular formula C16H12O4Te and a molecular weight of 395.87 g/mol. Its IUPAC name is dimethyl dibenzotellurophene-3,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl dibenzotellurophene-3,7-dicarboxylate
PubChem CID162715291
Molecular FormulaC16H12O4Te
Molecular Weight395.87 g/mol
Exact Mass397.98
IUPAC Namedimethyl dibenzotellurophene-3,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)[te]c1cc(C(=O)OC)ccc12
InChIInChI=1S/C16H12O4Te/c1-19-15(17)9-3-5-11-12-6-4-10(16(18)20-2)8-14(12)21-13(11)7-9/h3-8H,1-2H3
InChIKeyLKHJMLUKUMFZRA-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.62
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 5,8-diiodonaphthalene-2-carboxylate
CID 121007649
methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate
CID 177113788
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 2-(chloromethyl)-3-formyl-1H-indole-6-carboxylate
CID 175639857
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849

Frequently Asked Questions

What is the IUPAC name of dimethyl dibenzotellurophene-3,7-dicarboxylate?
The IUPAC name of dimethyl dibenzotellurophene-3,7-dicarboxylate (CID 162715291) is dimethyl dibenzotellurophene-3,7-dicarboxylate.
What is the SMILES notation for dimethyl dibenzotellurophene-3,7-dicarboxylate?
The canonical SMILES for dimethyl dibenzotellurophene-3,7-dicarboxylate is COC(=O)c1ccc2c(c1)[te]c1cc(C(=O)OC)ccc12.
What is the InChIKey of dimethyl dibenzotellurophene-3,7-dicarboxylate?
The InChIKey is LKHJMLUKUMFZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4Te/c1-19-15(17)9-3-5-11-12-6-4-10(16(18)20-2)8-14(12)21-13(11)7-9/h3-8H,1-2H3.
What are the key properties of dimethyl dibenzotellurophene-3,7-dicarboxylate?
dimethyl dibenzotellurophene-3,7-dicarboxylate has a molecular weight of 395.87 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl dibenzotellurophene-3,7-dicarboxylate is sourced from PubChem (CID 162715291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).