diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole

C11H25N2O4P — CID 174641001

IUPACdiethyl hydrogen phosphate;1,3-diethyl-2H-imidazole
SMILESCCN1C=CN(CC)C1.CCOP(=O)(O)OCC
InChIInChI=1S/C7H14N2.C4H11O4P/c1-3-8-5-6-9(4-2)7-8;1-3-7-9(5,6)8-4-2/h5-6H,3-4,7H2,1-2H3;3-4H2,1-2H3,(H,5,6)
InChIKeyYAIMCVIBSZFUKW-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.23
Rot. Bonds6

About diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole

diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole (PubChem CID 174641001) has the molecular formula C11H25N2O4P and a molecular weight of 280.31 g/mol. Its IUPAC name is diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole.

Molecular Properties

Compound Namediethyl hydrogen phosphate;1,3-diethyl-2H-imidazole
PubChem CID174641001
Molecular FormulaC11H25N2O4P
Molecular Weight280.31 g/mol
Exact Mass280.16
IUPAC Namediethyl hydrogen phosphate;1,3-diethyl-2H-imidazole
SMILESCCN1C=CN(CC)C1.CCOP(=O)(O)OCC
InChIInChI=1S/C7H14N2.C4H11O4P/c1-3-8-5-6-9(4-2)7-8;1-3-7-9(5,6)8-4-2/h5-6H,3-4,7H2,1-2H3;3-4H2,1-2H3,(H,5,6)
InChIKeyYAIMCVIBSZFUKW-UHFFFAOYSA-N
XLogP2.23
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethyl hydrogen phosphate;1,3-dimethyl-2H-imidazole
CID 162039281
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;scandium
CID 54607585
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
diethyl hydrogen phosphate;formonitrile
CID 87389342
diethyl hydrogen phosphate;piperazine
CID 175366394
3,3-dihydroxypropyl ethyl hydrogen phosphate
CID 174883301
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
diethyl hydrogen phosphate;1,3-dimethyl-4,5-diphenyl-2H-imidazole
CID 174942095

Frequently Asked Questions

What is the IUPAC name of diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole?
The IUPAC name of diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole (CID 174641001) is diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole.
What is the SMILES notation for diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole?
The canonical SMILES for diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole is CCN1C=CN(CC)C1.CCOP(=O)(O)OCC.
What is the InChIKey of diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole?
The InChIKey is YAIMCVIBSZFUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C4H11O4P/c1-3-8-5-6-9(4-2)7-8;1-3-7-9(5,6)8-4-2/h5-6H,3-4,7H2,1-2H3;3-4H2,1-2H3,(H,5,6).
What are the key properties of diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole?
diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole has a molecular weight of 280.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole is sourced from PubChem (CID 174641001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).