Basic information
- CAS
55164-63-1- Standard SMILES
CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)[C@@H]3O[C@]3(CO)C(=O)[C@H]12- InChIKey
AFCPPFFSVWTLEO-FWZWAETFSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- (1R,2S,4S,6R,8R,9R)-4-(hydroxymethyl)-12-propan-2-ylidene-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione
- IUPAC
- (1R,2S,4S,6R,8R,9R)-4-(hydroxymethyl)-12-propan-2-ylidene-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione
Names & synonyms
NSC33407055164-63-1DTXSID70318700NSC-334070(1aS,2aS,3R,6R,6aR,7aR)-1a-(Hydroxymethyl)-8-(propan-2-ylidene)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione
Database identifiers
- CAS
55164-63-1- PubChem CID
- 333385
- DTXSID
DTXSID70318700
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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