copper(1+);1-ethoxyethenolate

C4H7CuO2 — CID 73187688

IUPACcopper(1+);1-ethoxyethenolate
SMILESC=C([O-])OCC.[Cu+]
InChIInChI=1S/C4H8O2.Cu/c1-3-6-4(2)5;/h5H,2-3H2,1H3;/q;+1/p-1
InChIKeyLLQLDQFMBIYMOQ-UHFFFAOYSA-M
MW150.64 g/mol
LogP-0.15
Rot. Bonds2

About copper(1+);1-ethoxyethenolate

copper(1+);1-ethoxyethenolate (PubChem CID 73187688) has the molecular formula C4H7CuO2 and a molecular weight of 150.64 g/mol. Its IUPAC name is copper(1+);1-ethoxyethenolate.

Molecular Properties

Compound Namecopper(1+);1-ethoxyethenolate
PubChem CID73187688
Molecular FormulaC4H7CuO2
Molecular Weight150.64 g/mol
Exact Mass149.97
IUPAC Namecopper(1+);1-ethoxyethenolate
SMILESC=C([O-])OCC.[Cu+]
InChIInChI=1S/C4H8O2.Cu/c1-3-6-4(2)5;/h5H,2-3H2,1H3;/q;+1/p-1
InChIKeyLLQLDQFMBIYMOQ-UHFFFAOYSA-M
XLogP-0.15
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.64
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper(1+);1-ethoxyethenolate?
The IUPAC name of copper(1+);1-ethoxyethenolate (CID 73187688) is copper(1+);1-ethoxyethenolate.
What is the SMILES notation for copper(1+);1-ethoxyethenolate?
The canonical SMILES for copper(1+);1-ethoxyethenolate is C=C([O-])OCC.[Cu+].
What is the InChIKey of copper(1+);1-ethoxyethenolate?
The InChIKey is LLQLDQFMBIYMOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.Cu/c1-3-6-4(2)5;/h5H,2-3H2,1H3;/q;+1/p-1.
What are the key properties of copper(1+);1-ethoxyethenolate?
copper(1+);1-ethoxyethenolate has a molecular weight of 150.64 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-ethoxyethenolate is sourced from PubChem (CID 73187688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).