CID 11832942

C16H20FeO+2 — CID 11832942

IUPAC—
SMILESCC(=O)CCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C11H15O.C5H5.Fe/c1-10(12)6-2-3-7-11-8-4-5-9-11;1-2-4-5-3-1;/h4-5,8-9H,2-3,6-7H2,1H3;1-5H;/q;;+2
InChIKeyTXIYPSLMTKHHLP-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.56
Rot. Bonds5

About CID 11832942

CID 11832942 (PubChem CID 11832942) has the molecular formula C16H20FeO+2 and a molecular weight of 284.18 g/mol.

Molecular Properties

Compound NameCID 11832942
PubChem CID11832942
Molecular FormulaC16H20FeO+2
Molecular Weight284.18 g/mol
Exact Mass284.09
IUPAC Name—
SMILESCC(=O)CCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C11H15O.C5H5.Fe/c1-10(12)6-2-3-7-11-8-4-5-9-11;1-2-4-5-3-1;/h4-5,8-9H,2-3,6-7H2,1H3;1-5H;/q;;+2
InChIKeyTXIYPSLMTKHHLP-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.56
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 11832942?
The IUPAC name of CID 11832942 (CID 11832942) is not available.
What is the SMILES notation for CID 11832942?
The canonical SMILES for CID 11832942 is CC(=O)CCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11832942?
The InChIKey is TXIYPSLMTKHHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O.C5H5.Fe/c1-10(12)6-2-3-7-11-8-4-5-9-11;1-2-4-5-3-1;/h4-5,8-9H,2-3,6-7H2,1H3;1-5H;/q;;+2.
What are the key properties of CID 11832942?
CID 11832942 has a molecular weight of 284.18 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11832942 is sourced from PubChem (CID 11832942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).