ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine

C9H23N2O4P — CID 174721332

IUPACethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine
SMILESCC1CN(C)C(C)N1C.CCOP(=O)(O)O
InChIInChI=1S/C7H16N2.C2H7O4P/c1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h6-7H,5H2,1-4H3;2H2,1H3,(H2,3,4,5)
InChIKeyQXQYXMMNPBHZAE-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.71
Rot. Bonds2

About ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine

ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine (PubChem CID 174721332) has the molecular formula C9H23N2O4P and a molecular weight of 254.27 g/mol. Its IUPAC name is ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine.

Molecular Properties

Compound Nameethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine
PubChem CID174721332
Molecular FormulaC9H23N2O4P
Molecular Weight254.27 g/mol
Exact Mass254.14
IUPAC Nameethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine
SMILESCC1CN(C)C(C)N1C.CCOP(=O)(O)O
InChIInChI=1S/C7H16N2.C2H7O4P/c1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h6-7H,5H2,1-4H3;2H2,1H3,(H2,3,4,5)
InChIKeyQXQYXMMNPBHZAE-UHFFFAOYSA-N
XLogP0.71
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)
CID 173078108
ethyl hydrogen sulfate;1,2,3,4-tetramethylimidazolidine
CID 175128621
CID 87495286
CID 87495286
ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)
CID 173078160
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
2-ethyl-1,3-dimethylimidazolidine;1,2,3,4-tetramethylimidazolidine
CID 172752563
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
phthalic acid;bis(1,2,3,4-tetramethylimidazolidine)
CID 173024496

Frequently Asked Questions

What is the IUPAC name of ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine?
The IUPAC name of ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine (CID 174721332) is ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine.
What is the SMILES notation for ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine?
The canonical SMILES for ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine is CC1CN(C)C(C)N1C.CCOP(=O)(O)O.
What is the InChIKey of ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine?
The InChIKey is QXQYXMMNPBHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H7O4P/c1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h6-7H,5H2,1-4H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine?
ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine has a molecular weight of 254.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphate;1,2,3,4-tetramethylimidazolidine is sourced from PubChem (CID 174721332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).