copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate

C17H35Cu2N3O12 — CID 172962634

IUPACcopper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate
SMILESC/C(=N\O)C(=O)O.CCCO.CCCOCOC(=O)/C(C)=N/O.CCO.O=C(O)/C=N/O.[Cu].[Cu]
InChIInChI=1S/C7H13NO4.C3H5NO3.C3H8O.C2H3NO3.C2H6O.2Cu/c1-3-4-11-5-12-7(9)6(2)8-10;1-2(4-7)3(5)6;1-2-3-4;4-2(5)1-3-6;1-2-3;;/h10H,3-5H2,1-2H3;7H,1H3,(H,5,6);4H,2-3H2,1H3;1,6H,(H,4,5);3H,2H2,1H3;;/b8-6+;4-2+;;3-1+;;;
InChIKeyMSLZFCSHDYHAGU-YCLAHWBWSA-N
MW600.57 g/mol
LogP0.60
Rot. Bonds8

About copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate

copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate (PubChem CID 172962634) has the molecular formula C17H35Cu2N3O12 and a molecular weight of 600.57 g/mol. Its IUPAC name is copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate.

Molecular Properties

Compound Namecopper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate
PubChem CID172962634
Molecular FormulaC17H35Cu2N3O12
Molecular Weight600.57 g/mol
Exact Mass599.08
IUPAC Namecopper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate
SMILESC/C(=N\O)C(=O)O.CCCO.CCCOCOC(=O)/C(C)=N/O.CCO.O=C(O)/C=N/O.[Cu].[Cu]
InChIInChI=1S/C7H13NO4.C3H5NO3.C3H8O.C2H3NO3.C2H6O.2Cu/c1-3-4-11-5-12-7(9)6(2)8-10;1-2(4-7)3(5)6;1-2-3-4;4-2(5)1-3-6;1-2-3;;/h10H,3-5H2,1-2H3;7H,1H3,(H,5,6);4H,2-3H2,1H3;1,6H,(H,4,5);3H,2H2,1H3;;/b8-6+;4-2+;;3-1+;;;
InChIKeyMSLZFCSHDYHAGU-YCLAHWBWSA-N
XLogP0.60
TPSA248.36 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500600.57
LogP ≤ 50.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propyl 2-hydroxyiminopropanoate
CID 139796274
ethyl 2-hydroxyiminopropanoate
CID 6399798
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
propan-1-ol;propyl acetate;hydrate
CID 158673261
propoxymethyl 2,2-dimethylpropanoate
CID 89008018
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
acetyl 2-hydroxyiminopropanoate
CID 174342286
ethanol;4-hydroxypent-3-en-2-one;tantalum
CID 155886326
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
(Z)-2-methyl-4-oxo-4-propoxybut-2-enoic acid
CID 87197934
butyl 3-hydroxybut-2-enoate
CID 86173564
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921

Frequently Asked Questions

What is the IUPAC name of copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate?
The IUPAC name of copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate (CID 172962634) is copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate.
What is the SMILES notation for copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate?
The canonical SMILES for copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate is C/C(=N\O)C(=O)O.CCCO.CCCOCOC(=O)/C(C)=N/O.CCO.O=C(O)/C=N/O.[Cu].[Cu].
What is the InChIKey of copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate?
The InChIKey is MSLZFCSHDYHAGU-YCLAHWBWSA-N. The full InChI is InChI=1S/C7H13NO4.C3H5NO3.C3H8O.C2H3NO3.C2H6O.2Cu/c1-3-4-11-5-12-7(9)6(2)8-10;1-2(4-7)3(5)6;1-2-3-4;4-2(5)1-3-6;1-2-3;;/h10H,3-5H2,1-2H3;7H,1H3,(H,5,6);4H,2-3H2,1H3;1,6H,(H,4,5);3H,2H2,1H3;;/b8-6+;4-2+;;3-1+;;;.
What are the key properties of copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate?
copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate has a molecular weight of 600.57 g/mol, XLogP of 0.60, 8 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethanol;(2E)-2-hydroxyiminoacetic acid;(2E)-2-hydroxyiminopropanoic acid;propan-1-ol;propoxymethyl (2E)-2-hydroxyiminopropanoate is sourced from PubChem (CID 172962634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).