copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide

C11H19CuINO2Zn — CID 14225244

IUPACcopper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide
SMILES[C-]#N.[CH2-]CCC(C)OC(=O)C(C)(C)C.[Cu+].[Zn+]I
InChIInChI=1S/C10H19O2.CN.Cu.HI.Zn/c1-6-7-8(2)12-9(11)10(3,4)5;1-2;;;/h8H,1,6-7H2,2-5H3;;;1H;/q2*-1;+1;;+2/p-1
InChIKeyRHYCMDMQQHDOOR-UHFFFAOYSA-M
MW453.12 g/mol
LogP3.56
Rot. Bonds3

About copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide

copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide (PubChem CID 14225244) has the molecular formula C11H19CuINO2Zn and a molecular weight of 453.12 g/mol. Its IUPAC name is copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide.

Molecular Properties

Compound Namecopper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide
PubChem CID14225244
Molecular FormulaC11H19CuINO2Zn
Molecular Weight453.12 g/mol
Exact Mass450.90
IUPAC Namecopper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide
SMILES[C-]#N.[CH2-]CCC(C)OC(=O)C(C)(C)C.[Cu+].[Zn+]I
InChIInChI=1S/C10H19O2.CN.Cu.HI.Zn/c1-6-7-8(2)12-9(11)10(3,4)5;1-2;;;/h8H,1,6-7H2,2-5H3;;;1H;/q2*-1;+1;;+2/p-1
InChIKeyRHYCMDMQQHDOOR-UHFFFAOYSA-M
XLogP3.56
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.12
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5S)-5-chlorohexan-2-yl] 2,2-dimethylpropanoate
CID 102352469
(4-hydroxy-6-methylheptan-2-yl) 2,2-dimethylpropanoate
CID 174452396
2-(2,2-dimethylpropanoyloxy)propane-1-sulfonate
CID 58226358
[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
[(2S)-1-chloro-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639920
6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate
CID 175274876
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
[(2S)-pentan-2-yl] 2,2,3-trimethylbutanoate
CID 156672782
3-propylhexan-2-yl 2,2-dimethylpropanoate
CID 170042299
pentan-3-yl 2,2-dimethylpropanoate
CID 58621886
2-methylnonan-4-yl 2,2-dimethylpropanoate
CID 140617078
diaminomethyl 2,2-dimethylpropanoate
CID 163435332

Frequently Asked Questions

What is the IUPAC name of copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide?
The IUPAC name of copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide (CID 14225244) is copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide.
What is the SMILES notation for copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide?
The canonical SMILES for copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide is [C-]#N.[CH2-]CCC(C)OC(=O)C(C)(C)C.[Cu+].[Zn+]I.
What is the InChIKey of copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide?
The InChIKey is RHYCMDMQQHDOOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19O2.CN.Cu.HI.Zn/c1-6-7-8(2)12-9(11)10(3,4)5;1-2;;;/h8H,1,6-7H2,2-5H3;;;1H;/q2*-1;+1;;+2/p-1.
What are the key properties of copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide?
copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide has a molecular weight of 453.12 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);iodozinc(1+);pentan-2-yl 2,2-dimethylpropanoate;cyanide is sourced from PubChem (CID 14225244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).