tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)

C60H123NdO9P3+3 — CID 159432033

IUPACtris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)
SMILESCCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].CCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].CCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].[Nd+3]
InChIInChI=1S/3C20H41O3P.Nd/c3*1-3-5-7-9-11-13-15-17-19-20(23-24(21)22)18-16-14-12-10-8-6-4-2;/h3*20H,3-19H2,1-2H3;/q;;;+3
InChIKeyBZXNUSNTSAVSIX-UHFFFAOYSA-N
MW1225.80 g/mol
LogP21.18
Rot. Bonds57

About tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)

tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+) (PubChem CID 159432033) has the molecular formula C60H123NdO9P3+3 and a molecular weight of 1225.80 g/mol. Its IUPAC name is tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+).

Molecular Properties

Compound Nametris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)
PubChem CID159432033
Molecular FormulaC60H123NdO9P3+3
Molecular Weight1225.80 g/mol
Exact Mass1222.74
IUPAC Nametris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)
SMILESCCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].CCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].CCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].[Nd+3]
InChIInChI=1S/3C20H41O3P.Nd/c3*1-3-5-7-9-11-13-15-17-19-20(23-24(21)22)18-16-14-12-10-8-6-4-2;/h3*20H,3-19H2,1-2H3;/q;;;+3
InChIKeyBZXNUSNTSAVSIX-UHFFFAOYSA-N
XLogP21.18
TPSA148.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds57
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.80
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

octan-2-yloxy-oxido-oxophosphanium
CID 71332978
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
3-icosan-3-yloxyicosane
CID 22595200
(5S)-5-methoxyundecane
CID 118889956
tripentadecan-6-yl phosphite
CID 87207088
3-pentadecan-3-yloxypentadecane
CID 57200588
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
oxido-oxo-tetracosoxyphosphanium
CID 57352033
di(octan-2-yloxy)-oxophosphanium;molybdenum
CID 162055001
CID 87645522
CID 87645522
CID 23342512
CID 23342512

Frequently Asked Questions

What is the IUPAC name of tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)?
The IUPAC name of tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+) (CID 159432033) is tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+).
What is the SMILES notation for tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)?
The canonical SMILES for tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+) is CCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].CCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].CCCCCCCCCCC(CCCCCCCCC)O[P+](=O)[O-].[Nd+3].
What is the InChIKey of tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)?
The InChIKey is BZXNUSNTSAVSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H41O3P.Nd/c3*1-3-5-7-9-11-13-15-17-19-20(23-24(21)22)18-16-14-12-10-8-6-4-2;/h3*20H,3-19H2,1-2H3;/q;;;+3.
What are the key properties of tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)?
tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+) has a molecular weight of 1225.80 g/mol, XLogP of 21.18, 57 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+) is sourced from PubChem (CID 159432033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).