dioxido(oxo)phosphanium;heptane;neodymium(3+)

C7H15NdO3P+ — CID 162000198

IUPACdioxido(oxo)phosphanium;heptane;neodymium(3+)
SMILESO=[P+]([O-])[O-].[CH2-]CCCCCC.[Nd+3]
InChIInChI=1S/C7H15.Nd.HO3P/c1-3-5-7-6-4-2;;1-4(2)3/h1,3-7H2,2H3;;(H,1,2,3)/q-1;+3;/p-1
InChIKeyZEKIYNMZBVVLPZ-UHFFFAOYSA-M
MW322.41 g/mol
LogP1.16
Rot. Bonds4

About dioxido(oxo)phosphanium;heptane;neodymium(3+)

dioxido(oxo)phosphanium;heptane;neodymium(3+) (PubChem CID 162000198) has the molecular formula C7H15NdO3P+ and a molecular weight of 322.41 g/mol. Its IUPAC name is dioxido(oxo)phosphanium;heptane;neodymium(3+).

Molecular Properties

Compound Namedioxido(oxo)phosphanium;heptane;neodymium(3+)
PubChem CID162000198
Molecular FormulaC7H15NdO3P+
Molecular Weight322.41 g/mol
Exact Mass319.98
IUPAC Namedioxido(oxo)phosphanium;heptane;neodymium(3+)
SMILESO=[P+]([O-])[O-].[CH2-]CCCCCC.[Nd+3]
InChIInChI=1S/C7H15.Nd.HO3P/c1-3-5-7-6-4-2;;1-4(2)3/h1,3-7H2,2H3;;(H,1,2,3)/q-1;+3;/p-1
InChIKeyZEKIYNMZBVVLPZ-UHFFFAOYSA-M
XLogP1.16
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptadecane
CID 156905849
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
tetrakis(heptane);zirconium(4+)
CID 154501032
lithium tridecane
CID 11321439
sodium tritriacontane
CID 150964196
lithium heptadecane
CID 12950399
manganese;tetradecane
CID 173260191
tetrakis(dodecane);zirconium(4+)
CID 173426195

Frequently Asked Questions

What is the IUPAC name of dioxido(oxo)phosphanium;heptane;neodymium(3+)?
The IUPAC name of dioxido(oxo)phosphanium;heptane;neodymium(3+) (CID 162000198) is dioxido(oxo)phosphanium;heptane;neodymium(3+).
What is the SMILES notation for dioxido(oxo)phosphanium;heptane;neodymium(3+)?
The canonical SMILES for dioxido(oxo)phosphanium;heptane;neodymium(3+) is O=[P+]([O-])[O-].[CH2-]CCCCCC.[Nd+3].
What is the InChIKey of dioxido(oxo)phosphanium;heptane;neodymium(3+)?
The InChIKey is ZEKIYNMZBVVLPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15.Nd.HO3P/c1-3-5-7-6-4-2;;1-4(2)3/h1,3-7H2,2H3;;(H,1,2,3)/q-1;+3;/p-1.
What are the key properties of dioxido(oxo)phosphanium;heptane;neodymium(3+)?
dioxido(oxo)phosphanium;heptane;neodymium(3+) has a molecular weight of 322.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(oxo)phosphanium;heptane;neodymium(3+) is sourced from PubChem (CID 162000198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).