hexyl dihydrogen phosphate;neodymium

C6H15NdO4P — CID 174801976

IUPAChexyl dihydrogen phosphate;neodymium
SMILESCCCCCCOP(=O)(O)O.[Nd]
InChIInChI=1S/C6H15O4P.Nd/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H2,7,8,9);
InChIKeyKATWESFWVUAVGL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.68
Rot. Bonds6

About hexyl dihydrogen phosphate;neodymium

hexyl dihydrogen phosphate;neodymium (PubChem CID 174801976) has the molecular formula C6H15NdO4P and a molecular weight of 326.40 g/mol. Its IUPAC name is hexyl dihydrogen phosphate;neodymium.

Molecular Properties

Compound Namehexyl dihydrogen phosphate;neodymium
PubChem CID174801976
Molecular FormulaC6H15NdO4P
Molecular Weight326.40 g/mol
Exact Mass323.98
IUPAC Namehexyl dihydrogen phosphate;neodymium
SMILESCCCCCCOP(=O)(O)O.[Nd]
InChIInChI=1S/C6H15O4P.Nd/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H2,7,8,9);
InChIKeyKATWESFWVUAVGL-UHFFFAOYSA-N
XLogP1.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
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

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CID 159430233
iron;octadecyl dihydrogen phosphate
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azane;octadecyl dihydrogen phosphate
CID 87905459
dodecyl dihydrogen phosphate;indigane
CID 173026750
CID 170842594
CID 170842594
CID 170843971
CID 170843971
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CID 173322009
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CID 174523308
sodium;hydride;tetradecyl dihydrogen phosphate
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Frequently Asked Questions

What is the IUPAC name of hexyl dihydrogen phosphate;neodymium?
The IUPAC name of hexyl dihydrogen phosphate;neodymium (CID 174801976) is hexyl dihydrogen phosphate;neodymium.
What is the SMILES notation for hexyl dihydrogen phosphate;neodymium?
The canonical SMILES for hexyl dihydrogen phosphate;neodymium is CCCCCCOP(=O)(O)O.[Nd].
What is the InChIKey of hexyl dihydrogen phosphate;neodymium?
The InChIKey is KATWESFWVUAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P.Nd/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H2,7,8,9);.
What are the key properties of hexyl dihydrogen phosphate;neodymium?
hexyl dihydrogen phosphate;neodymium has a molecular weight of 326.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl dihydrogen phosphate;neodymium is sourced from PubChem (CID 174801976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).