(1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate

C9H19N2O4P — CID 71269381

IUPAC(1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate
SMILESCCN1C=CN(CC)C1OP(=O)(OC)OC
InChIInChI=1S/C9H19N2O4P/c1-5-10-7-8-11(6-2)9(10)15-16(12,13-3)14-4/h7-9H,5-6H2,1-4H3
InChIKeyHHXDTFMXMDZNJF-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.82
Rot. Bonds6

About (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate

(1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate (PubChem CID 71269381) has the molecular formula C9H19N2O4P and a molecular weight of 250.23 g/mol. Its IUPAC name is (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate.

Molecular Properties

Compound Name(1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate
PubChem CID71269381
Molecular FormulaC9H19N2O4P
Molecular Weight250.23 g/mol
Exact Mass250.11
IUPAC Name(1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate
SMILESCCN1C=CN(CC)C1OP(=O)(OC)OC
InChIInChI=1S/C9H19N2O4P/c1-5-10-7-8-11(6-2)9(10)15-16(12,13-3)14-4/h7-9H,5-6H2,1-4H3
InChIKeyHHXDTFMXMDZNJF-UHFFFAOYSA-N
XLogP1.82
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.82
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 (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate?
The IUPAC name of (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate (CID 71269381) is (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate.
What is the SMILES notation for (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate?
The canonical SMILES for (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate is CCN1C=CN(CC)C1OP(=O)(OC)OC.
What is the InChIKey of (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate?
The InChIKey is HHXDTFMXMDZNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O4P/c1-5-10-7-8-11(6-2)9(10)15-16(12,13-3)14-4/h7-9H,5-6H2,1-4H3.
What are the key properties of (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate?
(1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate has a molecular weight of 250.23 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethyl-2H-imidazol-2-yl) dimethyl phosphate is sourced from PubChem (CID 71269381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).