copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane

C10H17CuO2 — CID 134993826

IUPACcopper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane
SMILES[Cu+].[H]/[C-]=C(/CCCC)CC1OCCO1
InChIInChI=1S/C10H17O2.Cu/c1-3-4-5-9(2)8-10-11-6-7-12-10;/h2,10H,3-8H2,1H3;/q-1;+1
InChIKeyAYRIFLWMAGWRDM-UHFFFAOYSA-N
MW232.79 g/mol
LogP2.30
Rot. Bonds5

About copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane

copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane (PubChem CID 134993826) has the molecular formula C10H17CuO2 and a molecular weight of 232.79 g/mol. Its IUPAC name is copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane.

Molecular Properties

Compound Namecopper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane
PubChem CID134993826
Molecular FormulaC10H17CuO2
Molecular Weight232.79 g/mol
Exact Mass232.05
IUPAC Namecopper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane
SMILES[Cu+].[H]/[C-]=C(/CCCC)CC1OCCO1
InChIInChI=1S/C10H17O2.Cu/c1-3-4-5-9(2)8-10-11-6-7-12-10;/h2,10H,3-8H2,1H3;/q-1;+1
InChIKeyAYRIFLWMAGWRDM-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.79
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane?
The IUPAC name of copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane (CID 134993826) is copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane.
What is the SMILES notation for copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane?
The canonical SMILES for copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane is [Cu+].[H]/[C-]=C(/CCCC)CC1OCCO1.
What is the InChIKey of copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane?
The InChIKey is AYRIFLWMAGWRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2.Cu/c1-3-4-5-9(2)8-10-11-6-7-12-10;/h2,10H,3-8H2,1H3;/q-1;+1.
What are the key properties of copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane?
copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane has a molecular weight of 232.79 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane is sourced from PubChem (CID 134993826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).