dipentyl phosphate;nickel(2+)

C10H22NiO4P+ — CID 22743882

IUPACdipentyl phosphate;nickel(2+)
SMILESCCCCCOP(=O)([O-])OCCCCC.[Ni+2]
InChIInChI=1S/C10H23O4P.Ni/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;/h3-10H2,1-2H3,(H,11,12);/q;+2/p-1
InChIKeyCTCPEUWHHGSKDB-UHFFFAOYSA-M
MW295.95 g/mol
LogP2.87
Rot. Bonds10

About dipentyl phosphate;nickel(2+)

dipentyl phosphate;nickel(2+) (PubChem CID 22743882) has the molecular formula C10H22NiO4P+ and a molecular weight of 295.95 g/mol. Its IUPAC name is dipentyl phosphate;nickel(2+).

Molecular Properties

Compound Namedipentyl phosphate;nickel(2+)
PubChem CID22743882
Molecular FormulaC10H22NiO4P+
Molecular Weight295.95 g/mol
Exact Mass295.06
IUPAC Namedipentyl phosphate;nickel(2+)
SMILESCCCCCOP(=O)([O-])OCCCCC.[Ni+2]
InChIInChI=1S/C10H23O4P.Ni/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;/h3-10H2,1-2H3,(H,11,12);/q;+2/p-1
InChIKeyCTCPEUWHHGSKDB-UHFFFAOYSA-M
XLogP2.87
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.95
LogP ≤ 52.87
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

diicosyl phosphate
CID 21219883
zinc bis(dinonyl phosphate)
CID 87237924
disodium bis(dioctadecyl phosphate)
CID 172826116
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110
ethyl hexyl phosphate
CID 22057005

Frequently Asked Questions

What is the IUPAC name of dipentyl phosphate;nickel(2+)?
The IUPAC name of dipentyl phosphate;nickel(2+) (CID 22743882) is dipentyl phosphate;nickel(2+).
What is the SMILES notation for dipentyl phosphate;nickel(2+)?
The canonical SMILES for dipentyl phosphate;nickel(2+) is CCCCCOP(=O)([O-])OCCCCC.[Ni+2].
What is the InChIKey of dipentyl phosphate;nickel(2+)?
The InChIKey is CTCPEUWHHGSKDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23O4P.Ni/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;/h3-10H2,1-2H3,(H,11,12);/q;+2/p-1.
What are the key properties of dipentyl phosphate;nickel(2+)?
dipentyl phosphate;nickel(2+) has a molecular weight of 295.95 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl phosphate;nickel(2+) is sourced from PubChem (CID 22743882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).