3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

C17H31NO3 — CID 62707645

IUPAC3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCC(C)=CCOC(=O)C(C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C17H31NO3/c1-13(2)9-12-20-15(19)14(3)21-18-16(4,5)10-8-11-17(18,6)7/h9,14H,8,10-12H2,1-7H3
InChIKeyJMWGANMGHICGMZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.86
Rot. Bonds5

About 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (PubChem CID 62707645) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Name3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
PubChem CID62707645
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCC(C)=CCOC(=O)C(C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C17H31NO3/c1-13(2)9-12-20-15(19)14(3)21-18-16(4,5)10-8-11-17(18,6)7/h9,14H,8,10-12H2,1-7H3
InChIKeyJMWGANMGHICGMZ-UHFFFAOYSA-N
XLogP3.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The IUPAC name of 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (CID 62707645) is 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is CC(C)=CCOC(=O)C(C)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The InChIKey is JMWGANMGHICGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13(2)9-12-20-15(19)14(3)21-18-16(4,5)10-8-11-17(18,6)7/h9,14H,8,10-12H2,1-7H3.
What are the key properties of 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate has a molecular weight of 297.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is sourced from PubChem (CID 62707645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).