2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium

C15H32NdO3P+ — CID 161169213

IUPAC2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium
SMILESCCCCCC(C)O[P+](=O)OCC(CC)CCCC.[Nd]
InChIInChI=1S/C15H32O3P.Nd/c1-5-8-10-11-14(4)18-19(16)17-13-15(7-3)12-9-6-2;/h14-15H,5-13H2,1-4H3;/q+1;
InChIKeyOSSAFIGQVWUUSM-UHFFFAOYSA-N
MW435.63 g/mol
LogP5.86
Rot. Bonds13

About 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium

2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium (PubChem CID 161169213) has the molecular formula C15H32NdO3P+ and a molecular weight of 435.63 g/mol. Its IUPAC name is 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium.

Molecular Properties

Compound Name2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium
PubChem CID161169213
Molecular FormulaC15H32NdO3P+
Molecular Weight435.63 g/mol
Exact Mass433.12
IUPAC Name2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium
SMILESCCCCCC(C)O[P+](=O)OCC(CC)CCCC.[Nd]
InChIInChI=1S/C15H32O3P.Nd/c1-5-8-10-11-14(4)18-19(16)17-13-15(7-3)12-9-6-2;/h14-15H,5-13H2,1-4H3;/q+1;
InChIKeyOSSAFIGQVWUUSM-UHFFFAOYSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.63
LogP ≤ 55.86
H-Bond Donors ≤ 50
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

2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
CID 151079178
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
di(octan-2-yloxy)-oxophosphanium;molybdenum
CID 162055001
neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium
CID 87549293
bis(3-ethyldecoxy)-oxophosphanium
CID 175430698
octan-2-yloxy-oxido-oxophosphanium
CID 71332978
2-ethylhexoxy-[2-(octadecylamino)ethyl]-oxophosphanium
CID 174355767
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-ethylhexyl octan-2-yl phosphate
CID 18459399
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
bis(2-ethylhexyl octan-2-yl phosphate);nickel(2+)
CID 87135845
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium?
The IUPAC name of 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium (CID 161169213) is 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium.
What is the SMILES notation for 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium?
The canonical SMILES for 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium is CCCCCC(C)O[P+](=O)OCC(CC)CCCC.[Nd].
What is the InChIKey of 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium?
The InChIKey is OSSAFIGQVWUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3P.Nd/c1-5-8-10-11-14(4)18-19(16)17-13-15(7-3)12-9-6-2;/h14-15H,5-13H2,1-4H3;/q+1;.
What are the key properties of 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium?
2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium has a molecular weight of 435.63 g/mol, XLogP of 5.86, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium is sourced from PubChem (CID 161169213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).