Basic information
- Standard SMILES
CCCCC12CCC(=O)C(C)=C1c1ccc(OCOC)cc1C2- InChIKey
XRZFPFOMTBNOKG-UHFFFAOYSA-N- Molecular formula
- C20H26O3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.18819469
Names & identifiers
- Preferred name
- 9a-butyl-7-methoxymethoxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 9a-butyl-7-(methoxymethoxy)-4-methyl-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2422236XRZFPFOMTBNOKG-UHFFFAOYSA-N9a-butyl-7-methoxymethoxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990893
- Nikkaji
- J1.833.868H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
6 records
Compound notes
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