CID 24854668

C20H33FeP3+2 — CID 24854668

IUPAC—
SMILESCC(C)(C)[C]1[P][P][C](C(C)(C)C)[P]1.C[C]1[C](C)[C](C)[C](C)[C]1C.[Fe+2]
InChIInChI=1S/C10H18P3.C10H15.Fe/c1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-6-7(2)9(4)10(5)8(6)3;/h1-6H3;1-5H3;/q;;+2
InChIKeyLJRJTGXKEPVRDN-UHFFFAOYSA-N
MW422.25 g/mol
LogP8.79
Rot. Bonds

About CID 24854668

CID 24854668 (PubChem CID 24854668) has the molecular formula C20H33FeP3+2 and a molecular weight of 422.25 g/mol.

Molecular Properties

Compound NameCID 24854668
PubChem CID24854668
Molecular FormulaC20H33FeP3+2
Molecular Weight422.25 g/mol
Exact Mass422.11
IUPAC Name—
SMILESCC(C)(C)[C]1[P][P][C](C(C)(C)C)[P]1.C[C]1[C](C)[C](C)[C](C)[C]1C.[Fe+2]
InChIInChI=1S/C10H18P3.C10H15.Fe/c1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-6-7(2)9(4)10(5)8(6)3;/h1-6H3;1-5H3;/q;;+2
InChIKeyLJRJTGXKEPVRDN-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.25
LogP ≤ 58.79
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 24854668?
The IUPAC name of CID 24854668 (CID 24854668) is not available.
What is the SMILES notation for CID 24854668?
The canonical SMILES for CID 24854668 is CC(C)(C)[C]1[P][P][C](C(C)(C)C)[P]1.C[C]1[C](C)[C](C)[C](C)[C]1C.[Fe+2].
What is the InChIKey of CID 24854668?
The InChIKey is LJRJTGXKEPVRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18P3.C10H15.Fe/c1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-6-7(2)9(4)10(5)8(6)3;/h1-6H3;1-5H3;/q;;+2.
What are the key properties of CID 24854668?
CID 24854668 has a molecular weight of 422.25 g/mol, XLogP of 8.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24854668 is sourced from PubChem (CID 24854668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).