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Basic information
- Standard SMILES
C=CCC1=C2CCCCC2CCC1=O- InChIKey
APSFXQPNAJDFOC-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 1-prop-2-enyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
- IUPAC
- 1-prop-2-enyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Names & synonyms
NSC620037CHEMBL1996513NSC-620037NCI60_005915
Database identifiers
- PubChem CID
- 359293
- ChEMBL
CHEMBL1996513
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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