2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate

C10H16N2O4 — CID 89467135

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
SMILESCC(C)(CO)OCCOC(=O)n1ccnc1
InChIInChI=1S/C10H16N2O4/c1-10(2,7-13)16-6-5-15-9(14)12-4-3-11-8-12/h3-4,8,13H,5-7H2,1-2H3
InChIKeyGSKHDOVPKOCOFX-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.66
Rot. Bonds5

About 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate

2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate (PubChem CID 89467135) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
PubChem CID89467135
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
SMILESCC(C)(CO)OCCOC(=O)n1ccnc1
InChIInChI=1S/C10H16N2O4/c1-10(2,7-13)16-6-5-15-9(14)12-4-3-11-8-12/h3-4,8,13H,5-7H2,1-2H3
InChIKeyGSKHDOVPKOCOFX-UHFFFAOYSA-N
XLogP0.66
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate (CID 89467135) is 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate is CC(C)(CO)OCCOC(=O)n1ccnc1.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate?
The InChIKey is GSKHDOVPKOCOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2,7-13)16-6-5-15-9(14)12-4-3-11-8-12/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate?
2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate is sourced from PubChem (CID 89467135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).