neodymium;octoxy-octyl-oxophosphanium

C16H34NdO2P+ — CID 174731713

IUPACneodymium;octoxy-octyl-oxophosphanium
SMILESCCCCCCCCO[P+](=O)CCCCCCCC.[Nd]
InChIInChI=1S/C16H34O2P.Nd/c1-3-5-7-9-11-13-15-18-19(17)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q+1;
InChIKeyUGFHBPZJTWWBLJ-UHFFFAOYSA-N
MW433.66 g/mol
LogP6.47
Rot. Bonds15

About neodymium;octoxy-octyl-oxophosphanium

neodymium;octoxy-octyl-oxophosphanium (PubChem CID 174731713) has the molecular formula C16H34NdO2P+ and a molecular weight of 433.66 g/mol. Its IUPAC name is neodymium;octoxy-octyl-oxophosphanium.

Molecular Properties

Compound Nameneodymium;octoxy-octyl-oxophosphanium
PubChem CID174731713
Molecular FormulaC16H34NdO2P+
Molecular Weight433.66 g/mol
Exact Mass431.14
IUPAC Nameneodymium;octoxy-octyl-oxophosphanium
SMILESCCCCCCCCO[P+](=O)CCCCCCCC.[Nd]
InChIInChI=1S/C16H34O2P.Nd/c1-3-5-7-9-11-13-15-18-19(17)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q+1;
InChIKeyUGFHBPZJTWWBLJ-UHFFFAOYSA-N
XLogP6.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.66
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

butyl-heptoxy-oxophosphanium
CID 22497580
nonoxy-oxo-propylphosphanium
CID 174923561
3-aminopropyl-dodecoxy-oxophosphanium
CID 91097507
ethoxy-octyl-oxophosphanium
CID 14512429
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
hexyl-(2-methylpropoxy)-oxophosphanium
CID 88827543
dioctoxy(oxo)phosphanium;zinc
CID 175522796
butoxy-dodecoxy-oxophosphanium
CID 175103299

Frequently Asked Questions

What is the IUPAC name of neodymium;octoxy-octyl-oxophosphanium?
The IUPAC name of neodymium;octoxy-octyl-oxophosphanium (CID 174731713) is neodymium;octoxy-octyl-oxophosphanium.
What is the SMILES notation for neodymium;octoxy-octyl-oxophosphanium?
The canonical SMILES for neodymium;octoxy-octyl-oxophosphanium is CCCCCCCCO[P+](=O)CCCCCCCC.[Nd].
What is the InChIKey of neodymium;octoxy-octyl-oxophosphanium?
The InChIKey is UGFHBPZJTWWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2P.Nd/c1-3-5-7-9-11-13-15-18-19(17)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;/q+1;.
What are the key properties of neodymium;octoxy-octyl-oxophosphanium?
neodymium;octoxy-octyl-oxophosphanium has a molecular weight of 433.66 g/mol, XLogP of 6.47, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;octoxy-octyl-oxophosphanium is sourced from PubChem (CID 174731713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).