Basic information
- Standard SMILES
CCCCC12Cc3cc(OCOC)ccc3C1=C(C)C(=O)C(I)C2- InChIKey
XPESWUFQMICOFV-UHFFFAOYSA-N- Molecular formula
- C20H25IO3
- Average molar mass
- 440.3 g/mol
Names & identifiers
- Preferred name
- (2SR,9aRS)-9a-butyl-2-iodo-7-methoxymethoxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 9a-butyl-2-iodo-7-(methoxymethoxy)-4-methyl-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2421076XPESWUFQMICOFV-UHFFFAOYSA-N(2SR,9aRS)-9a-butyl-2-iodo-7-methoxymethoxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 67401669
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 515
Related reactions
3 records
Compound notes
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