7-((2E)-3,7-Dimethylocta-2,6-dienoxy)-8-(3-methylbut-2-enyl)chromen-2-one
Basic information
- CAS
100742-29-8- Standard SMILES
CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1CC=C(C)C- InChIKey
NKCISAZZXKYCSK-XDJHFCHBSA-N- Molecular formula
- C24H30O3
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.21949481
Names & identifiers
- Preferred name
- 7-((2E)-3,7-Dimethylocta-2,6-dienoxy)-8-(3-methylbut-2-enyl)chromen-2-one
- IUPAC
- 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one
Names & synonyms
O-geranylosthenolCHEMBL4873937-((2E)-3,7-Dimethylocta-2,6-dienoxy)-8-(3-methylbut-2-enyl)chromen-2-one100742-29-8NCGC00347460-02!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one
Database identifiers
- CAS
100742-29-8- PubChem CID
- 6442525
- ChEMBL
CHEMBL487393
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 616
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Compound notes
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