magnesium;dodecane;phosphoric acid

C12H28MgO4P+ — CID 173337658

IUPACmagnesium;dodecane;phosphoric acid
SMILESO=P(O)(O)O.[CH2-]CCCCCCCCCCC.[Mg+2]
InChIInChI=1S/C12H25.Mg.H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h1,3-12H2,2H3;;(H3,1,2,3,4)/q-1;+2;
InChIKeyZWMNEGMTCSDVPJ-UHFFFAOYSA-N
MW291.63 g/mol
LogP3.43
Rot. Bonds9

About magnesium;dodecane;phosphoric acid

magnesium;dodecane;phosphoric acid (PubChem CID 173337658) has the molecular formula C12H28MgO4P+ and a molecular weight of 291.63 g/mol. Its IUPAC name is magnesium;dodecane;phosphoric acid.

Molecular Properties

Compound Namemagnesium;dodecane;phosphoric acid
PubChem CID173337658
Molecular FormulaC12H28MgO4P+
Molecular Weight291.63 g/mol
Exact Mass291.16
IUPAC Namemagnesium;dodecane;phosphoric acid
SMILESO=P(O)(O)O.[CH2-]CCCCCCCCCCC.[Mg+2]
InChIInChI=1S/C12H25.Mg.H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h1,3-12H2,2H3;;(H3,1,2,3,4)/q-1;+2;
InChIKeyZWMNEGMTCSDVPJ-UHFFFAOYSA-N
XLogP3.43
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.63
LogP ≤ 53.43
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

neodymium;bis(octane);phosphoric acid
CID 174405180
cadmium;octadecane;phosphoric acid
CID 174848496
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
magnesium;octane;propane
CID 140617216
magnesium;octadecane;bromide
CID 12546206
magnesium;pentadecane;chloride
CID 88592756

Frequently Asked Questions

What is the IUPAC name of magnesium;dodecane;phosphoric acid?
The IUPAC name of magnesium;dodecane;phosphoric acid (CID 173337658) is magnesium;dodecane;phosphoric acid.
What is the SMILES notation for magnesium;dodecane;phosphoric acid?
The canonical SMILES for magnesium;dodecane;phosphoric acid is O=P(O)(O)O.[CH2-]CCCCCCCCCCC.[Mg+2].
What is the InChIKey of magnesium;dodecane;phosphoric acid?
The InChIKey is ZWMNEGMTCSDVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Mg.H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h1,3-12H2,2H3;;(H3,1,2,3,4)/q-1;+2;.
What are the key properties of magnesium;dodecane;phosphoric acid?
magnesium;dodecane;phosphoric acid has a molecular weight of 291.63 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dodecane;phosphoric acid is sourced from PubChem (CID 173337658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).