zinc;tributylphosphane;diacetate

C16H33O4PZn — CID 158741952

IUPACzinc;tributylphosphane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCP(CCCC)CCCC.[Zn+2]
InChIInChI=1S/C12H27P.2C2H4O2.Zn/c1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-2(3)4;/h4-12H2,1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyQCWOEUBNYHARGW-UHFFFAOYSA-L
MW385.80 g/mol
LogP2.38
Rot. Bonds9

About zinc;tributylphosphane;diacetate

zinc;tributylphosphane;diacetate (PubChem CID 158741952) has the molecular formula C16H33O4PZn and a molecular weight of 385.80 g/mol. Its IUPAC name is zinc;tributylphosphane;diacetate.

Molecular Properties

Compound Namezinc;tributylphosphane;diacetate
PubChem CID158741952
Molecular FormulaC16H33O4PZn
Molecular Weight385.80 g/mol
Exact Mass384.14
IUPAC Namezinc;tributylphosphane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCP(CCCC)CCCC.[Zn+2]
InChIInChI=1S/C12H27P.2C2H4O2.Zn/c1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-2(3)4;/h4-12H2,1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyQCWOEUBNYHARGW-UHFFFAOYSA-L
XLogP2.38
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

copper;bis(tributylphosphane);diacetate
CID 173453696
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 diacetate
CID 172711940
butylphosphanium acetate
CID 18551477
carbonic acid;trioctylphosphane
CID 174362126
platinum;bis(tributylphosphane);dihydrochloride
CID 101088975
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
cobalt;rhodium;tributylphosphane
CID 174653599

Frequently Asked Questions

What is the IUPAC name of zinc;tributylphosphane;diacetate?
The IUPAC name of zinc;tributylphosphane;diacetate (CID 158741952) is zinc;tributylphosphane;diacetate.
What is the SMILES notation for zinc;tributylphosphane;diacetate?
The canonical SMILES for zinc;tributylphosphane;diacetate is CC(=O)[O-].CC(=O)[O-].CCCCP(CCCC)CCCC.[Zn+2].
What is the InChIKey of zinc;tributylphosphane;diacetate?
The InChIKey is QCWOEUBNYHARGW-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H27P.2C2H4O2.Zn/c1-4-7-10-13(11-8-5-2)12-9-6-3;2*1-2(3)4;/h4-12H2,1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of zinc;tributylphosphane;diacetate?
zinc;tributylphosphane;diacetate has a molecular weight of 385.80 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;tributylphosphane;diacetate is sourced from PubChem (CID 158741952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).