copper;bis(tributylphosphane);diacetate

C28H60CuO4P2 — CID 173453696

IUPACcopper;bis(tributylphosphane);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[Cu+2]
InChIInChI=1S/2C12H27P.2C2H4O2.Cu/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-2(3)4;/h2*4-12H2,1-3H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyLKBRLQOUYYWCFQ-UHFFFAOYSA-L
MW586.28 g/mol
LogP7.25
Rot. Bonds18

About copper;bis(tributylphosphane);diacetate

copper;bis(tributylphosphane);diacetate (PubChem CID 173453696) has the molecular formula C28H60CuO4P2 and a molecular weight of 586.28 g/mol. Its IUPAC name is copper;bis(tributylphosphane);diacetate.

Molecular Properties

Compound Namecopper;bis(tributylphosphane);diacetate
PubChem CID173453696
Molecular FormulaC28H60CuO4P2
Molecular Weight586.28 g/mol
Exact Mass585.33
IUPAC Namecopper;bis(tributylphosphane);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[Cu+2]
InChIInChI=1S/2C12H27P.2C2H4O2.Cu/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-2(3)4;/h2*4-12H2,1-3H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyLKBRLQOUYYWCFQ-UHFFFAOYSA-L
XLogP7.25
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.28
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc;tributylphosphane;diacetate
CID 158741952
3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate
CID 173070525
acetic acid;bis(tributylphosphane);hydrochloride
CID 174344265
zinc;hexane;diacetate
CID 174575867
ruthenium;tetrakis(tributylphosphane)
CID 137286049
nickel;bis(tributylphosphane)
CID 50940317
butylphosphanium acetate
CID 18551477
butylphosphanium diacetate
CID 172711940
carbonic acid;trioctylphosphane
CID 174362126
platinum;bis(tributylphosphane);dihydrochloride
CID 101088975
cobalt;rhodium;tributylphosphane
CID 174653599
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453

Frequently Asked Questions

What is the IUPAC name of copper;bis(tributylphosphane);diacetate?
The IUPAC name of copper;bis(tributylphosphane);diacetate (CID 173453696) is copper;bis(tributylphosphane);diacetate.
What is the SMILES notation for copper;bis(tributylphosphane);diacetate?
The canonical SMILES for copper;bis(tributylphosphane);diacetate is CC(=O)[O-].CC(=O)[O-].CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[Cu+2].
What is the InChIKey of copper;bis(tributylphosphane);diacetate?
The InChIKey is LKBRLQOUYYWCFQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H27P.2C2H4O2.Cu/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-2(3)4;/h2*4-12H2,1-3H3;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of copper;bis(tributylphosphane);diacetate?
copper;bis(tributylphosphane);diacetate has a molecular weight of 586.28 g/mol, XLogP of 7.25, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(tributylphosphane);diacetate is sourced from PubChem (CID 173453696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).