copper;4-methylpent-1-enoxycyclohexane;cyanide

C13H21CuNO — CID 20736458

IUPACcopper;4-methylpent-1-enoxycyclohexane;cyanide
SMILESCC(C)C/C=[C-]/OC1CCCCC1.[C-]#N.[Cu+2]
InChIInChI=1S/C12H21O.CN.Cu/c1-11(2)7-6-10-13-12-8-4-3-5-9-12;1-2;/h6,11-12H,3-5,7-9H2,1-2H3;;/q2*-1;+2
InChIKeyIOFCXFDXPWQLLH-UHFFFAOYSA-N
MW270.86 g/mol
LogP3.79
Rot. Bonds4

About copper;4-methylpent-1-enoxycyclohexane;cyanide

copper;4-methylpent-1-enoxycyclohexane;cyanide (PubChem CID 20736458) has the molecular formula C13H21CuNO and a molecular weight of 270.86 g/mol. Its IUPAC name is copper;4-methylpent-1-enoxycyclohexane;cyanide.

Molecular Properties

Compound Namecopper;4-methylpent-1-enoxycyclohexane;cyanide
PubChem CID20736458
Molecular FormulaC13H21CuNO
Molecular Weight270.86 g/mol
Exact Mass270.09
IUPAC Namecopper;4-methylpent-1-enoxycyclohexane;cyanide
SMILESCC(C)C/C=[C-]/OC1CCCCC1.[C-]#N.[Cu+2]
InChIInChI=1S/C12H21O.CN.Cu/c1-11(2)7-6-10-13-12-8-4-3-5-9-12;1-2;/h6,11-12H,3-5,7-9H2,1-2H3;;/q2*-1;+2
InChIKeyIOFCXFDXPWQLLH-UHFFFAOYSA-N
XLogP3.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.86
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpent-1-enoxycyclohexane
CID 20736459
CID 101181302
CID 101181302
CID 101181303
CID 101181303

Frequently Asked Questions

What is the IUPAC name of copper;4-methylpent-1-enoxycyclohexane;cyanide?
The IUPAC name of copper;4-methylpent-1-enoxycyclohexane;cyanide (CID 20736458) is copper;4-methylpent-1-enoxycyclohexane;cyanide.
What is the SMILES notation for copper;4-methylpent-1-enoxycyclohexane;cyanide?
The canonical SMILES for copper;4-methylpent-1-enoxycyclohexane;cyanide is CC(C)C/C=[C-]/OC1CCCCC1.[C-]#N.[Cu+2].
What is the InChIKey of copper;4-methylpent-1-enoxycyclohexane;cyanide?
The InChIKey is IOFCXFDXPWQLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O.CN.Cu/c1-11(2)7-6-10-13-12-8-4-3-5-9-12;1-2;/h6,11-12H,3-5,7-9H2,1-2H3;;/q2*-1;+2.
What are the key properties of copper;4-methylpent-1-enoxycyclohexane;cyanide?
copper;4-methylpent-1-enoxycyclohexane;cyanide has a molecular weight of 270.86 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-methylpent-1-enoxycyclohexane;cyanide is sourced from PubChem (CID 20736458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).