2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol

C13H22N2O2 — CID 79928334

IUPAC2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol
SMILESCn1ccnc1CC1(O)CC(C)(C)OC1(C)C
InChIInChI=1S/C13H22N2O2/c1-11(2)9-13(16,12(3,4)17-11)8-10-14-6-7-15(10)5/h6-7,16H,8-9H2,1-5H3
InChIKeyAOGOJLOAMOJULM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.67
Rot. Bonds2

About 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol

2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol (PubChem CID 79928334) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol
PubChem CID79928334
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol
SMILESCn1ccnc1CC1(O)CC(C)(C)OC1(C)C
InChIInChI=1S/C13H22N2O2/c1-11(2)9-13(16,12(3,4)17-11)8-10-14-6-7-15(10)5/h6-7,16H,8-9H2,1-5H3
InChIKeyAOGOJLOAMOJULM-UHFFFAOYSA-N
XLogP1.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928120
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol
CID 115763066
4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 63293989
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79743681
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol?
The IUPAC name of 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol (CID 79928334) is 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol?
The canonical SMILES for 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol is Cn1ccnc1CC1(O)CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol?
The InChIKey is AOGOJLOAMOJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)9-13(16,12(3,4)17-11)8-10-14-6-7-15(10)5/h6-7,16H,8-9H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol?
2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol has a molecular weight of 238.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol is sourced from PubChem (CID 79928334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).