copper;dodecane;phosphate

C12H25CuO4P-4 — CID 175065240

IUPACcopper;dodecane;phosphate
SMILESO=P([O-])([O-])[O-].[CH2-]CCCCCCCCCCC.[Cu]
InChIInChI=1S/C12H25.Cu.H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h1,3-12H2,2H3;;(H3,1,2,3,4)/q-1;;/p-3
InChIKeyMXHOQCMHOZQMOW-UHFFFAOYSA-K
MW327.85 g/mol
LogP1.91
Rot. Bonds9

About copper;dodecane;phosphate

copper;dodecane;phosphate (PubChem CID 175065240) has the molecular formula C12H25CuO4P-4 and a molecular weight of 327.85 g/mol. Its IUPAC name is copper;dodecane;phosphate.

Molecular Properties

Compound Namecopper;dodecane;phosphate
PubChem CID175065240
Molecular FormulaC12H25CuO4P-4
Molecular Weight327.85 g/mol
Exact Mass327.08
IUPAC Namecopper;dodecane;phosphate
SMILESO=P([O-])([O-])[O-].[CH2-]CCCCCCCCCCC.[Cu]
InChIInChI=1S/C12H25.Cu.H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h1,3-12H2,2H3;;(H3,1,2,3,4)/q-1;;/p-3
InChIKeyMXHOQCMHOZQMOW-UHFFFAOYSA-K
XLogP1.91
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trizinc;tris(dodecane);phosphate
CID 159186439
heptadecane
CID 156905849
neodymium;bis(octane);phosphoric acid
CID 174405180
magnesium;dodecane;phosphoric acid
CID 173337658
cadmium;octadecane;phosphoric acid
CID 174848496
sodium;phosphoric acid;tridecane
CID 162219181
hexadecane;phosphoric acid;zinc
CID 87392873
cerium;dodecane
CID 154114371
dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167

Frequently Asked Questions

What is the IUPAC name of copper;dodecane;phosphate?
The IUPAC name of copper;dodecane;phosphate (CID 175065240) is copper;dodecane;phosphate.
What is the SMILES notation for copper;dodecane;phosphate?
The canonical SMILES for copper;dodecane;phosphate is O=P([O-])([O-])[O-].[CH2-]CCCCCCCCCCC.[Cu].
What is the InChIKey of copper;dodecane;phosphate?
The InChIKey is MXHOQCMHOZQMOW-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H25.Cu.H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h1,3-12H2,2H3;;(H3,1,2,3,4)/q-1;;/p-3.
What are the key properties of copper;dodecane;phosphate?
copper;dodecane;phosphate has a molecular weight of 327.85 g/mol, XLogP of 1.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dodecane;phosphate is sourced from PubChem (CID 175065240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).