Hexatriacontan-18-ylphosphonic acid;neodymium

Name: Hexatriacontan-18-ylphosphonic acid;neodymium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₆H₇₅NdO₃P — CID 159988610

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAChexatriacontan-18-ylphosphonic acid;neodymium

SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)P(=O)(O)O.[Nd]

InChIInChI=1S/C36H75O3P.Nd/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(40(37,38)39)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h36H,3-35H2,1-2H3,(H2,37,38,39);

InChIKeyOGQOZAVVJLMTFP-UHFFFAOYSA-N

MW731.21 g/mol

LogP13.45

Rot. Bonds34

About Hexatriacontan-18-ylphosphonic acid;neodymium

Hexatriacontan-18-ylphosphonic acid;neodymium (PubChem CID 159988610) has the molecular formula C₃₆H₇₅NdO₃P and a molecular weight of 731.21 g/mol. Its IUPAC name is hexatriacontan-18-ylphosphonic acid;neodymium.

Molecular Properties

Compound Name	Hexatriacontan-18-ylphosphonic acid;neodymium
PubChem CID	159988610
Molecular Formula	C₃₆H₇₅NdO₃P
Molecular Weight	731.21 g/mol
Exact Mass	728.45
IUPAC Name	hexatriacontan-18-ylphosphonic acid;neodymium
SMILES	CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)P(=O)(O)O.[Nd]
InChI	InChI=1S/C36H75O3P.Nd/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(40(37,38)39)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h36H,3-35H2,1-2H3,(H2,37,38,39);
InChIKey	OGQOZAVVJLMTFP-UHFFFAOYSA-N
XLogP	13.45
TPSA	57.53 Å²
H-Bond Donors	2
H-Bond Acceptors	1
Rotatable Bonds	34
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.21
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Hexatriacontan-18-ylphosphonic acid;neodymium?

The IUPAC name of Hexatriacontan-18-ylphosphonic acid;neodymium (CID 159988610) is hexatriacontan-18-ylphosphonic acid;neodymium.

What is the SMILES notation for Hexatriacontan-18-ylphosphonic acid;neodymium?

The canonical SMILES for Hexatriacontan-18-ylphosphonic acid;neodymium is CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)P(=O)(O)O.[Nd].

What is the InChIKey of Hexatriacontan-18-ylphosphonic acid;neodymium?

The InChIKey is OGQOZAVVJLMTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75O3P.Nd/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(40(37,38)39)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h36H,3-35H2,1-2H3,(H2,37,38,39);.

What are the key properties of Hexatriacontan-18-ylphosphonic acid;neodymium?

Hexatriacontan-18-ylphosphonic acid;neodymium has a molecular weight of 731.21 g/mol, XLogP of 13.45, 34 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Hexatriacontan-18-ylphosphonic acid;neodymium is sourced from PubChem (CID 159988610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159988610 — identifiers, structure, computed properties (public domain)

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