copper(1+);3,3-diethoxyprop-1-ene

C7H13CuO2 — CID 76519141

IUPACcopper(1+);3,3-diethoxyprop-1-ene
SMILESC=[C-]C(OCC)OCC.[Cu+]
InChIInChI=1S/C7H13O2.Cu/c1-4-7(8-5-2)9-6-3;/h7H,1,5-6H2,2-3H3;/q-1;+1
InChIKeyUSQIJAIGXSSLPW-UHFFFAOYSA-N
MW192.72 g/mol
LogP1.37
Rot. Bonds5

About copper(1+);3,3-diethoxyprop-1-ene

copper(1+);3,3-diethoxyprop-1-ene (PubChem CID 76519141) has the molecular formula C7H13CuO2 and a molecular weight of 192.72 g/mol. Its IUPAC name is copper(1+);3,3-diethoxyprop-1-ene.

Molecular Properties

Compound Namecopper(1+);3,3-diethoxyprop-1-ene
PubChem CID76519141
Molecular FormulaC7H13CuO2
Molecular Weight192.72 g/mol
Exact Mass192.02
IUPAC Namecopper(1+);3,3-diethoxyprop-1-ene
SMILESC=[C-]C(OCC)OCC.[Cu+]
InChIInChI=1S/C7H13O2.Cu/c1-4-7(8-5-2)9-6-3;/h7H,1,5-6H2,2-3H3;/q-1;+1
InChIKeyUSQIJAIGXSSLPW-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.72
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper(1+);3,3-diethoxyprop-1-ene?
The IUPAC name of copper(1+);3,3-diethoxyprop-1-ene (CID 76519141) is copper(1+);3,3-diethoxyprop-1-ene.
What is the SMILES notation for copper(1+);3,3-diethoxyprop-1-ene?
The canonical SMILES for copper(1+);3,3-diethoxyprop-1-ene is C=[C-]C(OCC)OCC.[Cu+].
What is the InChIKey of copper(1+);3,3-diethoxyprop-1-ene?
The InChIKey is USQIJAIGXSSLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.Cu/c1-4-7(8-5-2)9-6-3;/h7H,1,5-6H2,2-3H3;/q-1;+1.
What are the key properties of copper(1+);3,3-diethoxyprop-1-ene?
copper(1+);3,3-diethoxyprop-1-ene has a molecular weight of 192.72 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);3,3-diethoxyprop-1-ene is sourced from PubChem (CID 76519141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).