diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate

C10H21N2O4P — CID 66723053

IUPACdiethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate
SMILESCCOP(=O)(OCC)OC1N(C)C=CN1CC
InChIInChI=1S/C10H21N2O4P/c1-5-12-9-8-11(4)10(12)16-17(13,14-6-2)15-7-3/h8-10H,5-7H2,1-4H3
InChIKeyPFSMSSGULYHRBK-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.21
Rot. Bonds7

About diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate

diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate (PubChem CID 66723053) has the molecular formula C10H21N2O4P and a molecular weight of 264.26 g/mol. Its IUPAC name is diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate.

Molecular Properties

Compound Namediethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate
PubChem CID66723053
Molecular FormulaC10H21N2O4P
Molecular Weight264.26 g/mol
Exact Mass264.12
IUPAC Namediethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate
SMILESCCOP(=O)(OCC)OC1N(C)C=CN1CC
InChIInChI=1S/C10H21N2O4P/c1-5-12-9-8-11(4)10(12)16-17(13,14-6-2)15-7-3/h8-10H,5-7H2,1-4H3
InChIKeyPFSMSSGULYHRBK-UHFFFAOYSA-N
XLogP2.21
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate?
The IUPAC name of diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate (CID 66723053) is diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate.
What is the SMILES notation for diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate?
The canonical SMILES for diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate is CCOP(=O)(OCC)OC1N(C)C=CN1CC.
What is the InChIKey of diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate?
The InChIKey is PFSMSSGULYHRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O4P/c1-5-12-9-8-11(4)10(12)16-17(13,14-6-2)15-7-3/h8-10H,5-7H2,1-4H3.
What are the key properties of diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate?
diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate has a molecular weight of 264.26 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (1-ethyl-3-methyl-2H-imidazol-2-yl) phosphate is sourced from PubChem (CID 66723053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).