copper bis(dipropan-2-yl phosphate)

C12H28CuO8P2 — CID 159825108

IUPACcopper bis(dipropan-2-yl phosphate)
SMILESCC(C)OP(=O)([O-])OC(C)C.CC(C)OP(=O)([O-])OC(C)C.[Cu+2]
InChIInChI=1S/2C6H15O4P.Cu/c2*1-5(2)9-11(7,8)10-6(3)4;/h2*5-6H,1-4H3,(H,7,8);/q;;+2/p-2
InChIKeyNMSUBHYYNADYBR-UHFFFAOYSA-L
MW425.84 g/mol
LogP2.61
Rot. Bonds8

About copper bis(dipropan-2-yl phosphate)

copper bis(dipropan-2-yl phosphate) (PubChem CID 159825108) has the molecular formula C12H28CuO8P2 and a molecular weight of 425.84 g/mol. Its IUPAC name is copper bis(dipropan-2-yl phosphate).

Molecular Properties

Compound Namecopper bis(dipropan-2-yl phosphate)
PubChem CID159825108
Molecular FormulaC12H28CuO8P2
Molecular Weight425.84 g/mol
Exact Mass425.06
IUPAC Namecopper bis(dipropan-2-yl phosphate)
SMILESCC(C)OP(=O)([O-])OC(C)C.CC(C)OP(=O)([O-])OC(C)C.[Cu+2]
InChIInChI=1S/2C6H15O4P.Cu/c2*1-5(2)9-11(7,8)10-6(3)4;/h2*5-6H,1-4H3,(H,7,8);/q;;+2/p-2
InChIKeyNMSUBHYYNADYBR-UHFFFAOYSA-L
XLogP2.61
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

calcium;dihydrogen phosphate;propan-2-yl hydrogen phosphate
CID 175259848
2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate
CID 155766203
2-dimethylphosphoryloxypropane
CID 12572720
trisodium;[dichloro(phosphonato)methyl]-propan-2-yloxyphosphinate
CID 15786046
bis(2-di(propan-2-yl)phosphoryloxypropane);methane
CID 160822091
dihexan-2-yl phosphate;zinc
CID 140567710
dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium
CID 67521741
CID 59914615
CID 59914615
CID 175885039
CID 175885039
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
methane;methyl dipropan-2-yl phosphate
CID 158565801
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672

Frequently Asked Questions

What is the IUPAC name of copper bis(dipropan-2-yl phosphate)?
The IUPAC name of copper bis(dipropan-2-yl phosphate) (CID 159825108) is copper bis(dipropan-2-yl phosphate).
What is the SMILES notation for copper bis(dipropan-2-yl phosphate)?
The canonical SMILES for copper bis(dipropan-2-yl phosphate) is CC(C)OP(=O)([O-])OC(C)C.CC(C)OP(=O)([O-])OC(C)C.[Cu+2].
What is the InChIKey of copper bis(dipropan-2-yl phosphate)?
The InChIKey is NMSUBHYYNADYBR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H15O4P.Cu/c2*1-5(2)9-11(7,8)10-6(3)4;/h2*5-6H,1-4H3,(H,7,8);/q;;+2/p-2.
What are the key properties of copper bis(dipropan-2-yl phosphate)?
copper bis(dipropan-2-yl phosphate) has a molecular weight of 425.84 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(dipropan-2-yl phosphate) is sourced from PubChem (CID 159825108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).