methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)

C15H37N4O4P — CID 67521029

IUPACmethyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)
SMILESCC1C[NH+](C)C(C)N1C.CC1C[NH+](C)C(C)N1C.COP(=O)([O-])[O-]
InChIInChI=1S/2C7H16N2.CH5O4P/c2*1-6-5-8(3)7(2)9(6)4;1-5-6(2,3)4/h2*6-7H,5H2,1-4H3;1H3,(H2,2,3,4)
InChIKeyXAIMOAOBVQXIFY-UHFFFAOYSA-N
MW368.46 g/mol
LogP-3.18
Rot. Bonds1

About methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)

methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium) (PubChem CID 67521029) has the molecular formula C15H37N4O4P and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium).

Molecular Properties

Compound Namemethyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)
PubChem CID67521029
Molecular FormulaC15H37N4O4P
Molecular Weight368.46 g/mol
Exact Mass368.26
IUPAC Namemethyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)
SMILESCC1C[NH+](C)C(C)N1C.CC1C[NH+](C)C(C)N1C.COP(=O)([O-])[O-]
InChIInChI=1S/2C7H16N2.CH5O4P/c2*1-6-5-8(3)7(2)9(6)4;1-5-6(2,3)4/h2*6-7H,5H2,1-4H3;1H3,(H2,2,3,4)
InChIKeyXAIMOAOBVQXIFY-UHFFFAOYSA-N
XLogP-3.18
TPSA87.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 173011115
methylazanium;methyl phosphate
CID 141397686
tridecakis(4-ethyl-1,2,3-trimethylimidazolidin-1-ium);tetraborate;fluoride
CID 139844473
1,2-dimethylaziridin-1-ium
CID 59383272
barium(2+);bis(dimethyl phosphate)
CID 3835926
dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
methyl-[2,4,6-tris[[methoxy(methyl)phosphoryl]oxy]-3-[methyl(oxido)phosphoryl]oxy-5-phosphonatooxycyclohexyl]oxyphosphinate
CID 59780395
dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium
CID 67521741
(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol
CID 51412260
dodecasodium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate;hydrate
CID 56845531
hexacopper;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
CID 3048317
dimethyl phosphate;tetrapropylphosphanium
CID 87475978

Frequently Asked Questions

What is the IUPAC name of methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)?
The IUPAC name of methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium) (CID 67521029) is methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium).
What is the SMILES notation for methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)?
The canonical SMILES for methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium) is CC1C[NH+](C)C(C)N1C.CC1C[NH+](C)C(C)N1C.COP(=O)([O-])[O-].
What is the InChIKey of methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)?
The InChIKey is XAIMOAOBVQXIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2.CH5O4P/c2*1-6-5-8(3)7(2)9(6)4;1-5-6(2,3)4/h2*6-7H,5H2,1-4H3;1H3,(H2,2,3,4).
What are the key properties of methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium)?
methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium) has a molecular weight of 368.46 g/mol, XLogP of -3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl phosphate;bis(1,2,3,4-tetramethylimidazolidin-1-ium) is sourced from PubChem (CID 67521029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).