CID 11024577

C19H20FeO3+ — CID 11024577

IUPAC—
SMILESCCCC[C]1[CH][CH][CH][CH]C1.O=[C-]c1ccccc1.[C-]#[O+].[C-]#[O+].[Fe+2]
InChIInChI=1S/C10H15.C7H5O.2CO.Fe/c1-2-3-7-10-8-5-4-6-9-10;8-6-7-4-2-1-3-5-7;2*1-2;/h4-6,8H,2-3,7,9H2,1H3;1-5H;;;/q;-1;;;+2
InChIKeyUCMQWQOWMKYSDR-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.04
Rot. Bonds4

About CID 11024577

CID 11024577 (PubChem CID 11024577) has the molecular formula C19H20FeO3+ and a molecular weight of 352.21 g/mol.

Molecular Properties

Compound NameCID 11024577
PubChem CID11024577
Molecular FormulaC19H20FeO3+
Molecular Weight352.21 g/mol
Exact Mass352.08
IUPAC Name—
SMILESCCCC[C]1[CH][CH][CH][CH]C1.O=[C-]c1ccccc1.[C-]#[O+].[C-]#[O+].[Fe+2]
InChIInChI=1S/C10H15.C7H5O.2CO.Fe/c1-2-3-7-10-8-5-4-6-9-10;8-6-7-4-2-1-3-5-7;2*1-2;/h4-6,8H,2-3,7,9H2,1H3;1-5H;;;/q;-1;;;+2
InChIKeyUCMQWQOWMKYSDR-UHFFFAOYSA-N
XLogP4.04
TPSA56.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11024577?
The IUPAC name of CID 11024577 (CID 11024577) is not available.
What is the SMILES notation for CID 11024577?
The canonical SMILES for CID 11024577 is CCCC[C]1[CH][CH][CH][CH]C1.O=[C-]c1ccccc1.[C-]#[O+].[C-]#[O+].[Fe+2].
What is the InChIKey of CID 11024577?
The InChIKey is UCMQWQOWMKYSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C7H5O.2CO.Fe/c1-2-3-7-10-8-5-4-6-9-10;8-6-7-4-2-1-3-5-7;2*1-2;/h4-6,8H,2-3,7,9H2,1H3;1-5H;;;/q;-1;;;+2.
What are the key properties of CID 11024577?
CID 11024577 has a molecular weight of 352.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11024577 is sourced from PubChem (CID 11024577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).