CID 134926998

C14H18Fe2O6Te3 — CID 134926998

IUPAC—
SMILESCCCC[Te].CCCC[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Te]
InChIInChI=1S/2C4H9Te.6CO.2Fe.Te/c2*1-2-3-4-5;6*1-2;;;/h2*2-4H2,1H3;;;;;;;;;
InChIKeyWTQRHZOFSORRHH-UHFFFAOYSA-N
MW776.78 g/mol
LogP2.14
Rot. Bonds4

About CID 134926998

CID 134926998 (PubChem CID 134926998) has the molecular formula C14H18Fe2O6Te3 and a molecular weight of 776.78 g/mol.

Molecular Properties

Compound NameCID 134926998
PubChem CID134926998
Molecular FormulaC14H18Fe2O6Te3
Molecular Weight776.78 g/mol
Exact Mass783.70
IUPAC Name—
SMILESCCCC[Te].CCCC[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Te]
InChIInChI=1S/2C4H9Te.6CO.2Fe.Te/c2*1-2-3-4-5;6*1-2;;;/h2*2-4H2,1H3;;;;;;;;;
InChIKeyWTQRHZOFSORRHH-UHFFFAOYSA-N
XLogP2.14
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500776.78
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 134926567
CID 134926567
CID 134925864
CID 134925864
carbon monoxide;tributylphosphanium;tungsten
CID 6327341
hexane dicyanide
CID 159336841
hexane;molybdenum
CID 162092649
alumane;pentane
CID 173125985
pentane;propane
CID 91422342
CID 159411255
CID 159411255
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexane;tetrahydrate
CID 174107213
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of CID 134926998?
The IUPAC name of CID 134926998 (CID 134926998) is not available.
What is the SMILES notation for CID 134926998?
The canonical SMILES for CID 134926998 is CCCC[Te].CCCC[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Te].
What is the InChIKey of CID 134926998?
The InChIKey is WTQRHZOFSORRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9Te.6CO.2Fe.Te/c2*1-2-3-4-5;6*1-2;;;/h2*2-4H2,1H3;;;;;;;;;.
What are the key properties of CID 134926998?
CID 134926998 has a molecular weight of 776.78 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134926998 is sourced from PubChem (CID 134926998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).