Cupanone
Basic information
- CAS
26430-30-8- Standard SMILES
CC1C=C2C(=O)C=C3OCOC34Oc3cc5c(cc3C(C1C)C24)OCO5- InChIKey
WTXORUUTAZJKSN-UHFFFAOYSA-N- Molecular formula
- C20H18O6
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.11033829
Names & identifiers
- Preferred name
- Cupanone
- IUPAC
- 13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.01,19.03,11.05,9.016,23]tricosa-3,5(9),10,15,18-pentaen-17-one
Names & synonyms
CupanoneSCHEMBL30898580NSC156298Q50456017,8-Dimethyl-7,8,8a,14b-tetrahydro-2H,5H,11H-benzo[kl]bis[1,3]dioxolo[4,5-b:4',5'-g]xanthen-5-one
Database identifiers
- CAS
26430-30-8- PubChem CID
- 291296
- DTXSID
DTXSID10303059
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 728
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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