bis(dicyclohexyl phosphate);nickel(2+)

C24H44NiO8P2 — CID 22768614

IUPACbis(dicyclohexyl phosphate);nickel(2+)
SMILESO=P([O-])(OC1CCCCC1)OC1CCCCC1.O=P([O-])(OC1CCCCC1)OC1CCCCC1.[Ni+2]
InChIInChI=1S/2C12H23O4P.Ni/c2*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h2*11-12H,1-10H2,(H,13,14);/q;;+2/p-2
InChIKeyWVFSLGMZLUQTIF-UHFFFAOYSA-L
MW581.25 g/mol
LogP6.30
Rot. Bonds8

About bis(dicyclohexyl phosphate);nickel(2+)

bis(dicyclohexyl phosphate);nickel(2+) (PubChem CID 22768614) has the molecular formula C24H44NiO8P2 and a molecular weight of 581.25 g/mol. Its IUPAC name is bis(dicyclohexyl phosphate);nickel(2+).

Molecular Properties

Compound Namebis(dicyclohexyl phosphate);nickel(2+)
PubChem CID22768614
Molecular FormulaC24H44NiO8P2
Molecular Weight581.25 g/mol
Exact Mass580.19
IUPAC Namebis(dicyclohexyl phosphate);nickel(2+)
SMILESO=P([O-])(OC1CCCCC1)OC1CCCCC1.O=P([O-])(OC1CCCCC1)OC1CCCCC1.[Ni+2]
InChIInChI=1S/2C12H23O4P.Ni/c2*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h2*11-12H,1-10H2,(H,13,14);/q;;+2/p-2
InChIKeyWVFSLGMZLUQTIF-UHFFFAOYSA-L
XLogP6.30
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.25
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(dicyclohexyl phosphate);nickel(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(dicyclohexyl phosphate);nickel(2+)?
The IUPAC name of bis(dicyclohexyl phosphate);nickel(2+) (CID 22768614) is bis(dicyclohexyl phosphate);nickel(2+).
What is the SMILES notation for bis(dicyclohexyl phosphate);nickel(2+)?
The canonical SMILES for bis(dicyclohexyl phosphate);nickel(2+) is O=P([O-])(OC1CCCCC1)OC1CCCCC1.O=P([O-])(OC1CCCCC1)OC1CCCCC1.[Ni+2].
What is the InChIKey of bis(dicyclohexyl phosphate);nickel(2+)?
The InChIKey is WVFSLGMZLUQTIF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H23O4P.Ni/c2*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h2*11-12H,1-10H2,(H,13,14);/q;;+2/p-2.
What are the key properties of bis(dicyclohexyl phosphate);nickel(2+)?
bis(dicyclohexyl phosphate);nickel(2+) has a molecular weight of 581.25 g/mol, XLogP of 6.30, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dicyclohexyl phosphate);nickel(2+) is sourced from PubChem (CID 22768614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).