CID 135047654

C5CrLi2O5 — CID 135047654

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Li].[Li]
InChIInChI=1S/5CO.Cr.2Li/c5*1-2;;;
InChIKeyUHBVRMWFURRKRH-UHFFFAOYSA-N
MW205.93 g/mol
LogP-0.95
Rot. Bonds

About CID 135047654

CID 135047654 (PubChem CID 135047654) has the molecular formula C5CrLi2O5 and a molecular weight of 205.93 g/mol.

Molecular Properties

Compound NameCID 135047654
PubChem CID135047654
Molecular FormulaC5CrLi2O5
Molecular Weight205.93 g/mol
Exact Mass205.95
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Li].[Li]
InChIInChI=1S/5CO.Cr.2Li/c5*1-2;;;
InChIKeyUHBVRMWFURRKRH-UHFFFAOYSA-N
XLogP-0.95
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.93
LogP ≤ 5-0.95
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 135047654?
The IUPAC name of CID 135047654 (CID 135047654) is not available.
What is the SMILES notation for CID 135047654?
The canonical SMILES for CID 135047654 is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Li].[Li].
What is the InChIKey of CID 135047654?
The InChIKey is UHBVRMWFURRKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/5CO.Cr.2Li/c5*1-2;;;.
What are the key properties of CID 135047654?
CID 135047654 has a molecular weight of 205.93 g/mol, XLogP of -0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135047654 is sourced from PubChem (CID 135047654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).