neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium

C16H34NdO2P+ — CID 87549293

IUPACneodymium;octan-2-yl-octan-2-yloxy-oxophosphanium
SMILESCCCCCCC(C)O[P+](=O)C(C)CCCCCC.[Nd]
InChIInChI=1S/C16H34O2P.Nd/c1-5-7-9-11-13-15(3)18-19(17)16(4)14-12-10-8-6-2;/h15-16H,5-14H2,1-4H3;/q+1;
InChIKeyNGIRUDDTMSBXPJ-UHFFFAOYSA-N
MW433.66 g/mol
LogP6.46
Rot. Bonds13

About neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium

neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium (PubChem CID 87549293) has the molecular formula C16H34NdO2P+ and a molecular weight of 433.66 g/mol. Its IUPAC name is neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium.

Molecular Properties

Compound Nameneodymium;octan-2-yl-octan-2-yloxy-oxophosphanium
PubChem CID87549293
Molecular FormulaC16H34NdO2P+
Molecular Weight433.66 g/mol
Exact Mass431.14
IUPAC Nameneodymium;octan-2-yl-octan-2-yloxy-oxophosphanium
SMILESCCCCCCC(C)O[P+](=O)C(C)CCCCCC.[Nd]
InChIInChI=1S/C16H34O2P.Nd/c1-5-7-9-11-13-15(3)18-19(17)16(4)14-12-10-8-6-2;/h15-16H,5-14H2,1-4H3;/q+1;
InChIKeyNGIRUDDTMSBXPJ-UHFFFAOYSA-N
XLogP6.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.66
LogP ≤ 56.46
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

di(octan-2-yloxy)-oxophosphanium;molybdenum
CID 162055001
octan-2-yloxy-oxido-oxophosphanium
CID 71332978
O-hexadecan-2-ylhydroxylamine
CID 18799052
tetradecan-2-yloxysilane
CID 173015270
2-ethoxytridecane
CID 54143367
di(octan-2-yloxy)-oxoazanium
CID 57229346
di(undecan-2-yloxy)silane
CID 123423274
1-octan-2-yloxydecane
CID 86220707
di(decan-2-yloxy)silane
CID 123195552
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069

Frequently Asked Questions

What is the IUPAC name of neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium?
The IUPAC name of neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium (CID 87549293) is neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium.
What is the SMILES notation for neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium?
The canonical SMILES for neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium is CCCCCCC(C)O[P+](=O)C(C)CCCCCC.[Nd].
What is the InChIKey of neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium?
The InChIKey is NGIRUDDTMSBXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2P.Nd/c1-5-7-9-11-13-15(3)18-19(17)16(4)14-12-10-8-6-2;/h15-16H,5-14H2,1-4H3;/q+1;.
What are the key properties of neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium?
neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium has a molecular weight of 433.66 g/mol, XLogP of 6.46, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium is sourced from PubChem (CID 87549293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).