2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol

C15H26N2O2Si — CID 131746830

IUPAC2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol
SMILESC#CC(C)(O)c1nccn1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26N2O2Si/c1-8-15(5,18)13-16-9-10-17(13)11-12-19-20(6,7)14(2,3)4/h1,9-10,18H,11-12H2,2-7H3
InChIKeyICMWLKIPGDPGGG-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.75
Rot. Bonds5

About 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol

2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol (PubChem CID 131746830) has the molecular formula C15H26N2O2Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol
PubChem CID131746830
Molecular FormulaC15H26N2O2Si
Molecular Weight294.47 g/mol
Exact Mass294.18
IUPAC Name2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol
SMILESC#CC(C)(O)c1nccn1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26N2O2Si/c1-8-15(5,18)13-16-9-10-17(13)11-12-19-20(6,7)14(2,3)4/h1,9-10,18H,11-12H2,2-7H3
InChIKeyICMWLKIPGDPGGG-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol?
The IUPAC name of 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol (CID 131746830) is 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol.
What is the SMILES notation for 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol?
The canonical SMILES for 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol is C#CC(C)(O)c1nccn1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol?
The InChIKey is ICMWLKIPGDPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2Si/c1-8-15(5,18)13-16-9-10-17(13)11-12-19-20(6,7)14(2,3)4/h1,9-10,18H,11-12H2,2-7H3.
What are the key properties of 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol?
2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol has a molecular weight of 294.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]but-3-yn-2-ol is sourced from PubChem (CID 131746830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).