Basic information
- Standard SMILES
CC(=O)c1ccc(OCCC(C)CCCC(C)CCCC(C)C)o1- InChIKey
DBZSJBNYPCZICK-UHFFFAOYSA-N- Molecular formula
- C21H36O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.26644501
Names & identifiers
- Preferred name
- Methyl 5-(3,7,11-trimethyldodecyloxy)-2-furyl ketone
- IUPAC
- 1-[5-(3,7,11-trimethyldodecoxy)furan-2-yl]ethanone
Names & synonyms
SCHEMBL10422667DBZSJBNYPCZICK-UHFFFAOYSA-Nmethyl 5-(3,7,11-trimethyldodecyloxy)-2-furyl ketone
Database identifiers
- PubChem CID
- 13655998
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 340
Related reactions
4 records
Compound notes
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