cadmium;octadecane;phosphoric acid

C18H40CdO4P- — CID 174848496

IUPACcadmium;octadecane;phosphoric acid
SMILESO=P(O)(O)O.[CH2-]CCCCCCCCCCCCCCCCC.[Cd]
InChIInChI=1S/C18H37.Cd.H3O4P/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-18H2,2H3;;(H3,1,2,3,4)/q-1;;
InChIKeyNIJNORGOEYIQOR-UHFFFAOYSA-N
MW463.90 g/mol
LogP6.15
Rot. Bonds15

About cadmium;octadecane;phosphoric acid

cadmium;octadecane;phosphoric acid (PubChem CID 174848496) has the molecular formula C18H40CdO4P- and a molecular weight of 463.90 g/mol. Its IUPAC name is cadmium;octadecane;phosphoric acid.

Molecular Properties

Compound Namecadmium;octadecane;phosphoric acid
PubChem CID174848496
Molecular FormulaC18H40CdO4P-
Molecular Weight463.90 g/mol
Exact Mass465.17
IUPAC Namecadmium;octadecane;phosphoric acid
SMILESO=P(O)(O)O.[CH2-]CCCCCCCCCCCCCCCCC.[Cd]
InChIInChI=1S/C18H37.Cd.H3O4P/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-18H2,2H3;;(H3,1,2,3,4)/q-1;;
InChIKeyNIJNORGOEYIQOR-UHFFFAOYSA-N
XLogP6.15
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.90
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

magnesium;dodecane;phosphoric acid
CID 173337658
neodymium;bis(octane);phosphoric acid
CID 174405180
sodium;phosphoric acid;tridecane
CID 162219181
hexadecane;phosphoric acid;zinc
CID 87392873
bis(hexane);neodymium;phosphoric acid
CID 159368892
dodecane;phosphoric acid
CID 88801558
copper;dodecane;phosphate
CID 175065240
trizinc;tris(dodecane);phosphate
CID 159186439
bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174574861
heptadecane
CID 156905849
octane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174708790
zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174490213

Frequently Asked Questions

What is the IUPAC name of cadmium;octadecane;phosphoric acid?
The IUPAC name of cadmium;octadecane;phosphoric acid (CID 174848496) is cadmium;octadecane;phosphoric acid.
What is the SMILES notation for cadmium;octadecane;phosphoric acid?
The canonical SMILES for cadmium;octadecane;phosphoric acid is O=P(O)(O)O.[CH2-]CCCCCCCCCCCCCCCCC.[Cd].
What is the InChIKey of cadmium;octadecane;phosphoric acid?
The InChIKey is NIJNORGOEYIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37.Cd.H3O4P/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-18H2,2H3;;(H3,1,2,3,4)/q-1;;.
What are the key properties of cadmium;octadecane;phosphoric acid?
cadmium;octadecane;phosphoric acid has a molecular weight of 463.90 g/mol, XLogP of 6.15, 15 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;octadecane;phosphoric acid is sourced from PubChem (CID 174848496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).