CID 173120951

C4H6CuLi — CID 173120951

IUPAC—
SMILES[Cu+2].[H][C-]=C.[H][C-]=C.[Li]
InChIInChI=1S/2C2H3.Cu.Li/c2*1-2;;/h2*1H,2H2;;/q2*-1;+2;
InChIKeyRTDIFAFJWYVVOB-UHFFFAOYSA-N
MW124.58 g/mol
LogP0.83
Rot. Bonds

About CID 173120951

CID 173120951 (PubChem CID 173120951) has the molecular formula C4H6CuLi and a molecular weight of 124.58 g/mol.

Molecular Properties

Compound NameCID 173120951
PubChem CID173120951
Molecular FormulaC4H6CuLi
Molecular Weight124.58 g/mol
Exact Mass123.99
IUPAC Name—
SMILES[Cu+2].[H][C-]=C.[H][C-]=C.[Li]
InChIInChI=1S/2C2H3.Cu.Li/c2*1-2;;/h2*1H,2H2;;/q2*-1;+2;
InChIKeyRTDIFAFJWYVVOB-UHFFFAOYSA-N
XLogP0.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.58
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173120951?
The IUPAC name of CID 173120951 (CID 173120951) is not available.
What is the SMILES notation for CID 173120951?
The canonical SMILES for CID 173120951 is [Cu+2].[H][C-]=C.[H][C-]=C.[Li].
What is the InChIKey of CID 173120951?
The InChIKey is RTDIFAFJWYVVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3.Cu.Li/c2*1-2;;/h2*1H,2H2;;/q2*-1;+2;.
What are the key properties of CID 173120951?
CID 173120951 has a molecular weight of 124.58 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173120951 is sourced from PubChem (CID 173120951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).