methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate

C14H26O4Te2 — CID 134882014

IUPACmethyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate
SMILESCOC(=O)CCCCC[Te][Te]CCCCCC(=O)OC
InChIInChI=1S/C14H26O4Te2/c1-17-13(15)9-5-3-7-11-19-20-12-8-4-6-10-14(16)18-2/h3-12H2,1-2H3
InChIKeyWXCPSUPXZLZESQ-UHFFFAOYSA-N
MW513.56 g/mol
LogP2.61
Rot. Bonds13

About methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate

methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate (PubChem CID 134882014) has the molecular formula C14H26O4Te2 and a molecular weight of 513.56 g/mol. Its IUPAC name is methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate
PubChem CID134882014
Molecular FormulaC14H26O4Te2
Molecular Weight513.56 g/mol
Exact Mass518.00
IUPAC Namemethyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate
SMILESCOC(=O)CCCCC[Te][Te]CCCCCC(=O)OC
InChIInChI=1S/C14H26O4Te2/c1-17-13(15)9-5-3-7-11-19-20-12-8-4-6-10-14(16)18-2/h3-12H2,1-2H3
InChIKeyWXCPSUPXZLZESQ-UHFFFAOYSA-N
XLogP2.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
methyl 6-undecyltellanylhexanoate
CID 13147748
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 20-bromoicosanoate
CID 155895697
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
methyl heptadecanoate
CID 15609
methyl 14-hydroxytetradecanoate
CID 13245690

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate?
The IUPAC name of methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate (CID 134882014) is methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate.
What is the SMILES notation for methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate?
The canonical SMILES for methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate is COC(=O)CCCCC[Te][Te]CCCCCC(=O)OC.
What is the InChIKey of methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate?
The InChIKey is WXCPSUPXZLZESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Te2/c1-17-13(15)9-5-3-7-11-19-20-12-8-4-6-10-14(16)18-2/h3-12H2,1-2H3.
What are the key properties of methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate?
methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate has a molecular weight of 513.56 g/mol, XLogP of 2.61, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate is sourced from PubChem (CID 134882014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).