5-Methyl-1-((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one

HCID 23249596

Basic information

Standard SMILES
CC(C)C(=O)C#CCOC1CCCCO1
InChIKey
GQRYPWDLSQZQHK-UHFFFAOYSA-N
Molecular formula
C12H18O3
Average molar mass
210.27 g/mol

Names & identifiers

Preferred name
5-Methyl-1-((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one
IUPAC
2-methyl-6-(oxan-2-yloxy)hex-4-yn-3-one

Names & synonyms

SCHEMBL7188169GQRYPWDLSQZQHK-UHFFFAOYSA-N5-Methyl- 1-((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1 -((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1-((3,4,5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1-((3.4.5,6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one5-Methyl-1-((3.4.5.6-tetrahydro-2H-pyran-2-yl)oxy)-2-hexyn-4-one

Database identifiers

PubChem CID
23249596
Nikkaji
J2.242.793H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Related reactions

22 records

Compound notes

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