ethyl acetate;iodocopper(1+)

C4H7CuIO2 — CID 155931181

IUPACethyl acetate;iodocopper(1+)
SMILES[CH2-]C(=O)OCC.[Cu+]I
InChIInChI=1S/C4H7O2.Cu.HI/c1-3-6-4(2)5;;/h2-3H2,1H3;;1H/q-1;+2;/p-1
InChIKeyBRPIMSKDTDSMBC-UHFFFAOYSA-M
MW277.55 g/mol
LogP1.27
Rot. Bonds1

About ethyl acetate;iodocopper(1+)

ethyl acetate;iodocopper(1+) (PubChem CID 155931181) has the molecular formula C4H7CuIO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is ethyl acetate;iodocopper(1+).

Molecular Properties

Compound Nameethyl acetate;iodocopper(1+)
PubChem CID155931181
Molecular FormulaC4H7CuIO2
Molecular Weight277.55 g/mol
Exact Mass276.88
IUPAC Nameethyl acetate;iodocopper(1+)
SMILES[CH2-]C(=O)OCC.[Cu+]I
InChIInChI=1S/C4H7O2.Cu.HI/c1-3-6-4(2)5;;/h2-3H2,1H3;;1H/q-1;+2;/p-1
InChIKeyBRPIMSKDTDSMBC-UHFFFAOYSA-M
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;iodocopper(1+)?
The IUPAC name of ethyl acetate;iodocopper(1+) (CID 155931181) is ethyl acetate;iodocopper(1+).
What is the SMILES notation for ethyl acetate;iodocopper(1+)?
The canonical SMILES for ethyl acetate;iodocopper(1+) is [CH2-]C(=O)OCC.[Cu+]I.
What is the InChIKey of ethyl acetate;iodocopper(1+)?
The InChIKey is BRPIMSKDTDSMBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7O2.Cu.HI/c1-3-6-4(2)5;;/h2-3H2,1H3;;1H/q-1;+2;/p-1.
What are the key properties of ethyl acetate;iodocopper(1+)?
ethyl acetate;iodocopper(1+) has a molecular weight of 277.55 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;iodocopper(1+) is sourced from PubChem (CID 155931181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).