2-Methoxy-5-(1,1-dimethyl-2-propynyl)benzaldehyde

HCID 19066489
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Basic information

Standard SMILES
C#CC(C)(C)c1ccc(OC)c(C=O)c1
InChIKey
NKBGXKALWYUKMT-UHFFFAOYSA-N
Molecular formula
C13H14O2
Average molar mass
202.25 g/mol

Names & identifiers

Preferred name
2-Methoxy-5-(1,1-dimethyl-2-propynyl)benzaldehyde
IUPAC
2-methoxy-5-(2-methylbut-3-yn-2-yl)benzaldehyde

Names & synonyms

SCHEMBL7588840NKBGXKALWYUKMT-UHFFFAOYSA-N2-methoxy-5-(1,1-dimethyl-2-propynyl)benzaldehyde

Database identifiers

PubChem CID
19066489

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15

Related reactions

4 records
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Compound notes

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