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

C8H17N2O4P — CID 67326582

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate
SMILESCCN1C=CN(C)C1OP(=O)(OC)OC
InChIInChI=1S/C8H17N2O4P/c1-5-10-7-6-9(2)8(10)14-15(11,12-3)13-4/h6-8H,5H2,1-4H3
InChIKeyAXXCHDKGFHABFI-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.43
Rot. Bonds5

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

(1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate (PubChem CID 67326582) has the molecular formula C8H17N2O4P and a molecular weight of 236.21 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate
PubChem CID67326582
Molecular FormulaC8H17N2O4P
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate
SMILESCCN1C=CN(C)C1OP(=O)(OC)OC
InChIInChI=1S/C8H17N2O4P/c1-5-10-7-6-9(2)8(10)14-15(11,12-3)13-4/h6-8H,5H2,1-4H3
InChIKeyAXXCHDKGFHABFI-UHFFFAOYSA-N
XLogP1.43
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.43
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-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate (CID 67326582) is (1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate is CCN1C=CN(C)C1OP(=O)(OC)OC.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate?
The InChIKey is AXXCHDKGFHABFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O4P/c1-5-10-7-6-9(2)8(10)14-15(11,12-3)13-4/h6-8H,5H2,1-4H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate?
(1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate has a molecular weight of 236.21 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-2-yl) dimethyl phosphate is sourced from PubChem (CID 67326582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).