CID 71401123

C13H22FeO4PSn3 — CID 71401123

IUPAC—
SMILESC[Sn](C)C.C[Sn](C)C.O=C=C[Sn](C=C=O)C=C=O.O=C=P.[Fe]
InChIInChI=1S/3C2HO.CHOP.6CH3.Fe.3Sn/c3*1-2-3;2-1-3;;;;;;;;;;/h3*1H;3H;6*1H3;;;;
InChIKeyDGNGEGHOPBKKMU-UHFFFAOYSA-N
MW685.27 g/mol
LogP2.20
Rot. Bonds3

About CID 71401123

CID 71401123 (PubChem CID 71401123) has the molecular formula C13H22FeO4PSn3 and a molecular weight of 685.27 g/mol.

Molecular Properties

Compound NameCID 71401123
PubChem CID71401123
Molecular FormulaC13H22FeO4PSn3
Molecular Weight685.27 g/mol
Exact Mass688.77
IUPAC Name—
SMILESC[Sn](C)C.C[Sn](C)C.O=C=C[Sn](C=C=O)C=C=O.O=C=P.[Fe]
InChIInChI=1S/3C2HO.CHOP.6CH3.Fe.3Sn/c3*1-2-3;2-1-3;;;;;;;;;;/h3*1H;3H;6*1H3;;;;
InChIKeyDGNGEGHOPBKKMU-UHFFFAOYSA-N
XLogP2.20
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 71401123?
The IUPAC name of CID 71401123 (CID 71401123) is not available.
What is the SMILES notation for CID 71401123?
The canonical SMILES for CID 71401123 is C[Sn](C)C.C[Sn](C)C.O=C=C[Sn](C=C=O)C=C=O.O=C=P.[Fe].
What is the InChIKey of CID 71401123?
The InChIKey is DGNGEGHOPBKKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2HO.CHOP.6CH3.Fe.3Sn/c3*1-2-3;2-1-3;;;;;;;;;;/h3*1H;3H;6*1H3;;;;.
What are the key properties of CID 71401123?
CID 71401123 has a molecular weight of 685.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71401123 is sourced from PubChem (CID 71401123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).