didodecyl hydrogen phosphate;nickel

C24H51NiO4P — CID 87136164

IUPACdidodecyl hydrogen phosphate;nickel
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.[Ni]
InChIInChI=1S/C24H51O4P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H,25,26);
InChIKeyNMRVAXQYKBPFHJ-UHFFFAOYSA-N
MW493.34 g/mol
LogP8.96
Rot. Bonds24

About didodecyl hydrogen phosphate;nickel

didodecyl hydrogen phosphate;nickel (PubChem CID 87136164) has the molecular formula C24H51NiO4P and a molecular weight of 493.34 g/mol. Its IUPAC name is didodecyl hydrogen phosphate;nickel.

Molecular Properties

Compound Namedidodecyl hydrogen phosphate;nickel
PubChem CID87136164
Molecular FormulaC24H51NiO4P
Molecular Weight493.34 g/mol
Exact Mass492.29
IUPAC Namedidodecyl hydrogen phosphate;nickel
SMILESCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.[Ni]
InChIInChI=1S/C24H51O4P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H,25,26);
InChIKeyNMRVAXQYKBPFHJ-UHFFFAOYSA-N
XLogP8.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.34
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
decyl propyl hydrogen phosphate
CID 87587050
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
acetic acid;dioctyl hydrogen phosphate
CID 175176967
dihydroxy(oxo)zirconium;dioctyl hydrogen phosphate
CID 87504266
dibutyl hydrogen phosphate
CID 158586372

Frequently Asked Questions

What is the IUPAC name of didodecyl hydrogen phosphate;nickel?
The IUPAC name of didodecyl hydrogen phosphate;nickel (CID 87136164) is didodecyl hydrogen phosphate;nickel.
What is the SMILES notation for didodecyl hydrogen phosphate;nickel?
The canonical SMILES for didodecyl hydrogen phosphate;nickel is CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.[Ni].
What is the InChIKey of didodecyl hydrogen phosphate;nickel?
The InChIKey is NMRVAXQYKBPFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O4P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H,25,26);.
What are the key properties of didodecyl hydrogen phosphate;nickel?
didodecyl hydrogen phosphate;nickel has a molecular weight of 493.34 g/mol, XLogP of 8.96, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl hydrogen phosphate;nickel is sourced from PubChem (CID 87136164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).