Basic information
- CAS
64981-70-0- Standard SMILES
CC1(C)CC[C@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)O1- InChIKey
ALRXDRQNAJOPCP-GFCCVEGCSA-N- Molecular formula
- C16H16O5
- Average molar mass
- 288.29 g/mol
- Monoisotopic mass
- 288.09977361
Names & identifiers
- Preferred name
- 6-(5,5-Dimethyltetrahydro-2-furanyl)-5,8-dihydroxynaphthoquinone
- IUPAC
- 2-[(2R)-5,5-dimethyloxolan-2-yl]-5,8-dihydroxynaphthalene-1,4-dione
Names & synonyms
NSC 3014576-(5,5-Dimethyltetrahydro-2-furanyl)-5,8-dihydroxynaphthoquinoneCycloshikoninNSC301457CHEMBL29163NSC655105NSC-301457NSC-655105NCI60_002527NCI60_019068
Database identifiers
- CAS
64981-70-0- PubChem CID
- 375418
- ChEMBL
CHEMBL29163- Nikkaji
- J601.623E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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