copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]

C12H13CuO2 — CID 15970108

IUPACcopper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]
SMILES[Cu+].[c-]1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C12H13O2.Cu/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12;/h2,6-7H,1,4-5,8-9H2;/q-1;+1
InChIKeyOSPPSFMONKSUAQ-UHFFFAOYSA-N
MW252.78 g/mol
LogP2.92
Rot. Bonds

About copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]

copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane] (PubChem CID 15970108) has the molecular formula C12H13CuO2 and a molecular weight of 252.78 g/mol. Its IUPAC name is copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane].

Molecular Properties

Compound Namecopper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]
PubChem CID15970108
Molecular FormulaC12H13CuO2
Molecular Weight252.78 g/mol
Exact Mass252.02
IUPAC Namecopper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]
SMILES[Cu+].[c-]1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C12H13O2.Cu/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12;/h2,6-7H,1,4-5,8-9H2;/q-1;+1
InChIKeyOSPPSFMONKSUAQ-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane] with MolForge

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Related Compounds

4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 10655331
5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropan-2-ol
CID 117373853
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
CID 84794385
tri(spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-yl)bismuthane
CID 10842932
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)acetonitrile
CID 117377922
spiro[[1,3]dioxolo[4,5-f][2,1,3]benzoxadiazole-6,1'-cyclohexane]
CID 14945136
1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol
CID 117420668
spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
CID 155387781
2-amino-1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylethanol
CID 117376316
1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclobutane-1-carboxylic acid
CID 117493597

Frequently Asked Questions

What is the IUPAC name of copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]?
The IUPAC name of copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane] (CID 15970108) is copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane].
What is the SMILES notation for copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]?
The canonical SMILES for copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane] is [Cu+].[c-]1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]?
The InChIKey is OSPPSFMONKSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2.Cu/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12;/h2,6-7H,1,4-5,8-9H2;/q-1;+1.
What are the key properties of copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane]?
copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane] has a molecular weight of 252.78 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);spiro[5H-1,3-benzodioxol-5-ide-2,1'-cyclohexane] is sourced from PubChem (CID 15970108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).