CID 139174377

C12H22Cl2Ge2O2Te2 — CID 139174377

IUPAC—
SMILESCC(=O)CC(C)(C)[Ge]Cl.CC(=O)CC(C)(C)[Ge]Cl.[Te].[Te]
InChIInChI=1S/2C6H11ClGeO.2Te/c2*1-5(9)4-6(2,3)8-7;;/h2*4H2,1-3H3;;
InChIKeyZTMNDJLRJLHGFE-UHFFFAOYSA-N
MW669.63 g/mol
LogP3.28
Rot. Bonds6

About CID 139174377

CID 139174377 (PubChem CID 139174377) has the molecular formula C12H22Cl2Ge2O2Te2 and a molecular weight of 669.63 g/mol.

Molecular Properties

Compound NameCID 139174377
PubChem CID139174377
Molecular FormulaC12H22Cl2Ge2O2Te2
Molecular Weight669.63 g/mol
Exact Mass675.75
IUPAC Name—
SMILESCC(=O)CC(C)(C)[Ge]Cl.CC(=O)CC(C)(C)[Ge]Cl.[Te].[Te]
InChIInChI=1S/2C6H11ClGeO.2Te/c2*1-5(9)4-6(2,3)8-7;;/h2*4H2,1-3H3;;
InChIKeyZTMNDJLRJLHGFE-UHFFFAOYSA-N
XLogP3.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.63
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 139174377?
The IUPAC name of CID 139174377 (CID 139174377) is not available.
What is the SMILES notation for CID 139174377?
The canonical SMILES for CID 139174377 is CC(=O)CC(C)(C)[Ge]Cl.CC(=O)CC(C)(C)[Ge]Cl.[Te].[Te].
What is the InChIKey of CID 139174377?
The InChIKey is ZTMNDJLRJLHGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11ClGeO.2Te/c2*1-5(9)4-6(2,3)8-7;;/h2*4H2,1-3H3;;.
What are the key properties of CID 139174377?
CID 139174377 has a molecular weight of 669.63 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139174377 is sourced from PubChem (CID 139174377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).