4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C16H27NO2 — CID 145157561

IUPAC4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESC=C/C=C(\C=C)COC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C16H27NO2/c1-7-9-13(8-2)12-19-14-10-15(3,4)17(18)16(5,6)11-14/h7-9,14,18H,1-2,10-12H2,3-6H3/b13-9+
InChIKeyLYSWLDUQCUVEED-UKTHLTGXSA-N
MW265.40 g/mol
LogP3.71
Rot. Bonds5

About 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 145157561) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID145157561
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESC=C/C=C(\C=C)COC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C16H27NO2/c1-7-9-13(8-2)12-19-14-10-15(3,4)17(18)16(5,6)11-14/h7-9,14,18H,1-2,10-12H2,3-6H3/b13-9+
InChIKeyLYSWLDUQCUVEED-UKTHLTGXSA-N
XLogP3.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 145157561) is 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine is C=C/C=C(\C=C)COC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is LYSWLDUQCUVEED-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-9-13(8-2)12-19-14-10-15(3,4)17(18)16(5,6)11-14/h7-9,14,18H,1-2,10-12H2,3-6H3/b13-9+.
What are the key properties of 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 265.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 145157561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).