tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate

C56H84Cu3O44P6-2 — CID 162157563

IUPACtricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate
SMILESC.C=C(C)C(=O)OCCOP(=O)([O-])OCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOP(=O)([O-])OCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOP(=O)([O-])[O-].C=CC(=O)OCCOP(=O)([O-])OCCOC(=O)C=C.C=CC(=O)OCCOP(=O)([O-])OCCOC(=O)C=C.C=CC(=O)OCCOP(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/2C12H19O8P.2C10H15O8P.C6H11O6P.C5H9O6P.CH4.3Cu/c2*1-9(2)11(13)17-5-7-19-21(15,16)20-8-6-18-12(14)10(3)4;2*1-3-9(11)15-5-7-17-19(13,14)18-8-6-16-10(12)4-2;1-5(2)6(7)11-3-4-12-13(8,9)10;1-2-5(6)10-3-4-11-12(7,8)9;;;;/h2*1,3,5-8H2,2,4H3,(H,15,16);2*3-4H,1-2,5-8H2,(H,13,14);1,3-4H2,2H3,(H2,8,9,10);2H,1,3-4H2,(H2,7,8,9);1H4;;;/q;;;;;;;3*+2/p-8
InChIKeyZMAMACZTZCNZEP-UHFFFAOYSA-F
MW1837.73 g/mol
LogP-0.51
Rot. Bonds50

About tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate

tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate (PubChem CID 162157563) has the molecular formula C56H84Cu3O44P6-2 and a molecular weight of 1837.73 g/mol. Its IUPAC name is tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate.

Molecular Properties

Compound Nametricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate
PubChem CID162157563
Molecular FormulaC56H84Cu3O44P6-2
Molecular Weight1837.73 g/mol
Exact Mass1835.07
IUPAC Nametricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate
SMILESC.C=C(C)C(=O)OCCOP(=O)([O-])OCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOP(=O)([O-])OCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOP(=O)([O-])[O-].C=CC(=O)OCCOP(=O)([O-])OCCOC(=O)C=C.C=CC(=O)OCCOP(=O)([O-])OCCOC(=O)C=C.C=CC(=O)OCCOP(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/2C12H19O8P.2C10H15O8P.C6H11O6P.C5H9O6P.CH4.3Cu/c2*1-9(2)11(13)17-5-7-19-21(15,16)20-8-6-18-12(14)10(3)4;2*1-3-9(11)15-5-7-17-19(13,14)18-8-6-16-10(12)4-2;1-5(2)6(7)11-3-4-12-13(8,9)10;1-2-5(6)10-3-4-11-12(7,8)9;;;;/h2*1,3,5-8H2,2,4H3,(H,15,16);2*3-4H,1-2,5-8H2,(H,13,14);1,3-4H2,2H3,(H2,8,9,10);2H,1,3-4H2,(H2,7,8,9);1H4;;;/q;;;;;;;3*+2/p-8
InChIKeyZMAMACZTZCNZEP-UHFFFAOYSA-F
XLogP-0.51
TPSA642.20 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds50
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001837.73
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate?
The IUPAC name of tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate (CID 162157563) is tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate.
What is the SMILES notation for tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate?
The canonical SMILES for tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate is C.C=C(C)C(=O)OCCOP(=O)([O-])OCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOP(=O)([O-])OCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOP(=O)([O-])[O-].C=CC(=O)OCCOP(=O)([O-])OCCOC(=O)C=C.C=CC(=O)OCCOP(=O)([O-])OCCOC(=O)C=C.C=CC(=O)OCCOP(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate?
The InChIKey is ZMAMACZTZCNZEP-UHFFFAOYSA-F. The full InChI is InChI=1S/2C12H19O8P.2C10H15O8P.C6H11O6P.C5H9O6P.CH4.3Cu/c2*1-9(2)11(13)17-5-7-19-21(15,16)20-8-6-18-12(14)10(3)4;2*1-3-9(11)15-5-7-17-19(13,14)18-8-6-16-10(12)4-2;1-5(2)6(7)11-3-4-12-13(8,9)10;1-2-5(6)10-3-4-11-12(7,8)9;;;;/h2*1,3,5-8H2,2,4H3,(H,15,16);2*3-4H,1-2,5-8H2,(H,13,14);1,3-4H2,2H3,(H2,8,9,10);2H,1,3-4H2,(H2,7,8,9);1H4;;;/q;;;;;;;3*+2/p-8.
What are the key properties of tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate?
tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate has a molecular weight of 1837.73 g/mol, XLogP of -0.51, 50 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate is sourced from PubChem (CID 162157563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).