butylphosphonic acid;neodymium

C4H11NdO3P — CID 134499527

IUPACbutylphosphonic acid;neodymium
SMILESCCCCP(=O)(O)O.[Nd]
InChIInChI=1S/C4H11O3P.Nd/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H2,5,6,7);
InChIKeyQHMDTIUZCUDEOH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.96
Rot. Bonds3

About butylphosphonic acid;neodymium

butylphosphonic acid;neodymium (PubChem CID 134499527) has the molecular formula C4H11NdO3P and a molecular weight of 282.34 g/mol. Its IUPAC name is butylphosphonic acid;neodymium.

Molecular Properties

Compound Namebutylphosphonic acid;neodymium
PubChem CID134499527
Molecular FormulaC4H11NdO3P
Molecular Weight282.34 g/mol
Exact Mass279.95
IUPAC Namebutylphosphonic acid;neodymium
SMILESCCCCP(=O)(O)O.[Nd]
InChIInChI=1S/C4H11O3P.Nd/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H2,5,6,7);
InChIKeyQHMDTIUZCUDEOH-UHFFFAOYSA-N
XLogP0.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;butylphosphonic acid;hydride
CID 174388690
hexylphosphonic acid;octylphosphonic acid
CID 155346901
azane;pentylphosphonic acid
CID 173073704
CID 86733794
CID 86733794
dodecylphosphonic acid;phosphoric acid
CID 88779225
octadecylphosphonic acid;zirconium
CID 87308115
potassium;hexadecylphosphonic acid;hydride
CID 175356287
butyl(methyl)phosphinic acid
CID 10909622
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
4-chlorooctylphosphonic acid
CID 87857502
5-phosphonopentylphosphonic acid
CID 2773804

Frequently Asked Questions

What is the IUPAC name of butylphosphonic acid;neodymium?
The IUPAC name of butylphosphonic acid;neodymium (CID 134499527) is butylphosphonic acid;neodymium.
What is the SMILES notation for butylphosphonic acid;neodymium?
The canonical SMILES for butylphosphonic acid;neodymium is CCCCP(=O)(O)O.[Nd].
What is the InChIKey of butylphosphonic acid;neodymium?
The InChIKey is QHMDTIUZCUDEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P.Nd/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H2,5,6,7);.
What are the key properties of butylphosphonic acid;neodymium?
butylphosphonic acid;neodymium has a molecular weight of 282.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylphosphonic acid;neodymium is sourced from PubChem (CID 134499527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).