CID 11128103

C8H7KMnO2+ — CID 11128103

IUPAC—
SMILESC[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[K+].[Mn]
InChIInChI=1S/C6H7.2CO.K.Mn/c1-6-4-2-3-5-6;2*1-2;;/h2-5H,1H3;;;;/q;;;+1;
InChIKeyMQRMCCQZQXEZQE-UHFFFAOYSA-N
MW229.18 g/mol
LogP-1.66
Rot. Bonds

About CID 11128103

CID 11128103 (PubChem CID 11128103) has the molecular formula C8H7KMnO2+ and a molecular weight of 229.18 g/mol.

Molecular Properties

Compound NameCID 11128103
PubChem CID11128103
Molecular FormulaC8H7KMnO2+
Molecular Weight229.18 g/mol
Exact Mass228.95
IUPAC Name—
SMILESC[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[K+].[Mn]
InChIInChI=1S/C6H7.2CO.K.Mn/c1-6-4-2-3-5-6;2*1-2;;/h2-5H,1H3;;;;/q;;;+1;
InChIKeyMQRMCCQZQXEZQE-UHFFFAOYSA-N
XLogP-1.66
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11128103?
The IUPAC name of CID 11128103 (CID 11128103) is not available.
What is the SMILES notation for CID 11128103?
The canonical SMILES for CID 11128103 is C[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[K+].[Mn].
What is the InChIKey of CID 11128103?
The InChIKey is MQRMCCQZQXEZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.2CO.K.Mn/c1-6-4-2-3-5-6;2*1-2;;/h2-5H,1H3;;;;/q;;;+1;.
What are the key properties of CID 11128103?
CID 11128103 has a molecular weight of 229.18 g/mol, XLogP of -1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11128103 is sourced from PubChem (CID 11128103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).