1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol

C23H41NO2 — CID 155154771

IUPAC1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC=C(CCCC(C)(C)C#CCC)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C23H41NO2/c1-9-10-13-21(3,4)14-11-12-19(2)26-16-15-24-22(5,6)17-20(25)18-23(24,7)8/h20,25H,2,9,11-12,14-18H2,1,3-8H3
InChIKeyHVOBZNPZEJTVKF-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.14
Rot. Bonds8

About 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 155154771) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID155154771
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC=C(CCCC(C)(C)C#CCC)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C23H41NO2/c1-9-10-13-21(3,4)14-11-12-19(2)26-16-15-24-22(5,6)17-20(25)18-23(24,7)8/h20,25H,2,9,11-12,14-18H2,1,3-8H3
InChIKeyHVOBZNPZEJTVKF-UHFFFAOYSA-N
XLogP5.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 155154771) is 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol is C=C(CCCC(C)(C)C#CCC)OCCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is HVOBZNPZEJTVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-9-10-13-21(3,4)14-11-12-19(2)26-16-15-24-22(5,6)17-20(25)18-23(24,7)8/h20,25H,2,9,11-12,14-18H2,1,3-8H3.
What are the key properties of 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 363.59 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 155154771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).