CID 10958743

C20H28FeO+2 — CID 10958743

IUPAC—
SMILESCC(=O)CCCCCCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C15H23O.C5H5.Fe/c1-14(16)10-6-4-2-3-5-7-11-15-12-8-9-13-15;1-2-4-5-3-1;/h8-9,12-13H,2-7,10-11H2,1H3;1-5H;/q;;+2
InChIKeyAXBOFFAVUJCOBC-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.12
Rot. Bonds9

About CID 10958743

CID 10958743 (PubChem CID 10958743) has the molecular formula C20H28FeO+2 and a molecular weight of 340.29 g/mol.

Molecular Properties

Compound NameCID 10958743
PubChem CID10958743
Molecular FormulaC20H28FeO+2
Molecular Weight340.29 g/mol
Exact Mass340.15
IUPAC Name—
SMILESCC(=O)CCCCCCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C15H23O.C5H5.Fe/c1-14(16)10-6-4-2-3-5-7-11-15-12-8-9-13-15;1-2-4-5-3-1;/h8-9,12-13H,2-7,10-11H2,1H3;1-5H;/q;;+2
InChIKeyAXBOFFAVUJCOBC-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10958743?
The IUPAC name of CID 10958743 (CID 10958743) is not available.
What is the SMILES notation for CID 10958743?
The canonical SMILES for CID 10958743 is CC(=O)CCCCCCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10958743?
The InChIKey is AXBOFFAVUJCOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O.C5H5.Fe/c1-14(16)10-6-4-2-3-5-7-11-15-12-8-9-13-15;1-2-4-5-3-1;/h8-9,12-13H,2-7,10-11H2,1H3;1-5H;/q;;+2.
What are the key properties of CID 10958743?
CID 10958743 has a molecular weight of 340.29 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10958743 is sourced from PubChem (CID 10958743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).