CID 134991219

C22H36FeP2Rh — CID 134991219

IUPAC—
SMILESCC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.CC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.[Fe].[Rh]
InChIInChI=1S/2C11H18P.Fe.Rh/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;/h2*5-10H,1-4H3;;
InChIKeyGUWLPRJRMAHSBF-UHFFFAOYSA-N
MW521.23 g/mol
LogP7.29
Rot. Bonds6

About CID 134991219

CID 134991219 (PubChem CID 134991219) has the molecular formula C22H36FeP2Rh and a molecular weight of 521.23 g/mol.

Molecular Properties

Compound NameCID 134991219
PubChem CID134991219
Molecular FormulaC22H36FeP2Rh
Molecular Weight521.23 g/mol
Exact Mass521.07
IUPAC Name—
SMILESCC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.CC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.[Fe].[Rh]
InChIInChI=1S/2C11H18P.Fe.Rh/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;/h2*5-10H,1-4H3;;
InChIKeyGUWLPRJRMAHSBF-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.23
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134991219?
The IUPAC name of CID 134991219 (CID 134991219) is not available.
What is the SMILES notation for CID 134991219?
The canonical SMILES for CID 134991219 is CC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.CC(C)P([C]1[CH][CH][CH][CH]1)C(C)C.[Fe].[Rh].
What is the InChIKey of CID 134991219?
The InChIKey is GUWLPRJRMAHSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18P.Fe.Rh/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;/h2*5-10H,1-4H3;;.
What are the key properties of CID 134991219?
CID 134991219 has a molecular weight of 521.23 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991219 is sourced from PubChem (CID 134991219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).