butyl propyl phosphate;nickel

C7H16NiO4P- — CID 88805143

IUPACbutyl propyl phosphate;nickel
SMILESCCCCOP(=O)([O-])OCCC.[Ni]
InChIInChI=1S/C7H17O4P.Ni/c1-3-5-7-11-12(8,9)10-6-4-2;/h3-7H2,1-2H3,(H,8,9);/p-1
InChIKeyYHARSFWBWRMFRM-UHFFFAOYSA-M
MW253.87 g/mol
LogP1.70
Rot. Bonds7

About butyl propyl phosphate;nickel

butyl propyl phosphate;nickel (PubChem CID 88805143) has the molecular formula C7H16NiO4P- and a molecular weight of 253.87 g/mol. Its IUPAC name is butyl propyl phosphate;nickel.

Molecular Properties

Compound Namebutyl propyl phosphate;nickel
PubChem CID88805143
Molecular FormulaC7H16NiO4P-
Molecular Weight253.87 g/mol
Exact Mass253.01
IUPAC Namebutyl propyl phosphate;nickel
SMILESCCCCOP(=O)([O-])OCCC.[Ni]
InChIInChI=1S/C7H17O4P.Ni/c1-3-5-7-11-12(8,9)10-6-4-2;/h3-7H2,1-2H3,(H,8,9);/p-1
InChIKeyYHARSFWBWRMFRM-UHFFFAOYSA-M
XLogP1.70
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.87
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

magnesium dibutyl phosphate
CID 21400580
dibutyl phosphate;tetramethylphosphanium
CID 87474476
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
diicosyl phosphate
CID 21219883
dibutyl phosphate;tetraethylazanium
CID 156853023
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
chromium(2+);dihexyl phosphate
CID 18626712
beryllium bis(dihexadecyl phosphate)
CID 102241208
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924

Frequently Asked Questions

What is the IUPAC name of butyl propyl phosphate;nickel?
The IUPAC name of butyl propyl phosphate;nickel (CID 88805143) is butyl propyl phosphate;nickel.
What is the SMILES notation for butyl propyl phosphate;nickel?
The canonical SMILES for butyl propyl phosphate;nickel is CCCCOP(=O)([O-])OCCC.[Ni].
What is the InChIKey of butyl propyl phosphate;nickel?
The InChIKey is YHARSFWBWRMFRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17O4P.Ni/c1-3-5-7-11-12(8,9)10-6-4-2;/h3-7H2,1-2H3,(H,8,9);/p-1.
What are the key properties of butyl propyl phosphate;nickel?
butyl propyl phosphate;nickel has a molecular weight of 253.87 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl propyl phosphate;nickel is sourced from PubChem (CID 88805143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).