CID 134898924

C24H32FeN2O2 — CID 134898924

IUPAC—
SMILESCC(C)(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.CC(C)(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[Fe]
InChIInChI=1S/2C12H16NO.Fe/c2*1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9;/h2*4-7,10H,8H2,1-3H3;/t2*10-;/m11./s1
InChIKeyYYNSPHHNEVHNPK-KCONRHHUSA-N
MW436.38 g/mol
LogP4.47
Rot. Bonds2

About CID 134898924

CID 134898924 (PubChem CID 134898924) has the molecular formula C24H32FeN2O2 and a molecular weight of 436.38 g/mol.

Molecular Properties

Compound NameCID 134898924
PubChem CID134898924
Molecular FormulaC24H32FeN2O2
Molecular Weight436.38 g/mol
Exact Mass436.18
IUPAC Name—
SMILESCC(C)(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.CC(C)(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[Fe]
InChIInChI=1S/2C12H16NO.Fe/c2*1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9;/h2*4-7,10H,8H2,1-3H3;/t2*10-;/m11./s1
InChIKeyYYNSPHHNEVHNPK-KCONRHHUSA-N
XLogP4.47
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134898924?
The IUPAC name of CID 134898924 (CID 134898924) is not available.
What is the SMILES notation for CID 134898924?
The canonical SMILES for CID 134898924 is CC(C)(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.CC(C)(C)[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[Fe].
What is the InChIKey of CID 134898924?
The InChIKey is YYNSPHHNEVHNPK-KCONRHHUSA-N. The full InChI is InChI=1S/2C12H16NO.Fe/c2*1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9;/h2*4-7,10H,8H2,1-3H3;/t2*10-;/m11./s1.
What are the key properties of CID 134898924?
CID 134898924 has a molecular weight of 436.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898924 is sourced from PubChem (CID 134898924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).