CID 24806934

C14H18FeO+2 — CID 24806934

IUPAC—
SMILESOCCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C9H13O.C5H5.Fe/c10-8-4-3-7-9-5-1-2-6-9;1-2-4-5-3-1;/h1-2,5-6,10H,3-4,7-8H2;1-5H;/q;;+2
InChIKeyJSSSGFNLTUKWFR-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.57
Rot. Bonds4

About CID 24806934

CID 24806934 (PubChem CID 24806934) has the molecular formula C14H18FeO+2 and a molecular weight of 258.14 g/mol.

Molecular Properties

Compound NameCID 24806934
PubChem CID24806934
Molecular FormulaC14H18FeO+2
Molecular Weight258.14 g/mol
Exact Mass258.07
IUPAC Name—
SMILESOCCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C9H13O.C5H5.Fe/c10-8-4-3-7-9-5-1-2-6-9;1-2-4-5-3-1;/h1-2,5-6,10H,3-4,7-8H2;1-5H;/q;;+2
InChIKeyJSSSGFNLTUKWFR-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.57
H-Bond Donors ≤ 51
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 24806934?
The IUPAC name of CID 24806934 (CID 24806934) is not available.
What is the SMILES notation for CID 24806934?
The canonical SMILES for CID 24806934 is OCCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 24806934?
The InChIKey is JSSSGFNLTUKWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O.C5H5.Fe/c10-8-4-3-7-9-5-1-2-6-9;1-2-4-5-3-1;/h1-2,5-6,10H,3-4,7-8H2;1-5H;/q;;+2.
What are the key properties of CID 24806934?
CID 24806934 has a molecular weight of 258.14 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24806934 is sourced from PubChem (CID 24806934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).