3-(1-Octynyl)furan-2-carboxaldehyde

HCID 20147161
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Basic information

Standard SMILES
CCCCCCC#Cc1ccoc1C=O
InChIKey
NUTJLGSQHHXKSC-UHFFFAOYSA-N
Molecular formula
C13H16O2
Average molar mass
204.26 g/mol

Names & identifiers

Preferred name
3-(1-Octynyl)furan-2-carboxaldehyde
IUPAC
3-oct-1-ynylfuran-2-carbaldehyde

Names & synonyms

SCHEMBL10662877NUTJLGSQHHXKSC-UHFFFAOYSA-N3-(1-Octynyl)furan-2-carboxaldehyde

Database identifiers

PubChem CID
20147161

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
15

Related reactions

5 records
New reaction record

Linked notes

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