Basic information
- CAS
5439-22-5- Standard SMILES
O=C1C2C3C=CC(C3)C2C(=O)C2C3C=CC(C3)C12- InChIKey
ZCJHLBHJGLCVRU-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- Stk208316
- IUPAC
- pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
- English name
- CYCLOPENTADIENE-QUINONE (2:1)ADDUCT
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
5439-22-5STK208316DTXSID60280003RefChem:382139DTXCID20231157pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethanoanthracene-9,10-dione1,8-Dimethanoanthracene-9,10-dione, 1,4,4a,5,8,8a,9a,10a-octahydro-NSC25350NCIOpen2_006910Oprea1_652092SCHEMBL8139841
Show more names
CYCLOPENTADIENE-QUINONE (2:1)ADDUCTCyclopentadiene-p-benzoquinone Diels-Alder adduct1,4,4A,5,8,8A,9A,10A-OCTAHYDRO-1,4,5,8-DIMETHANO-9,10-ANTHRAQUINONE1,4:5,8-Dimethanoanthracene-9,10-dione, 1,4,4A,5,8,8A,9A,10A-octahydro-1,4,4A,4B,5,8,8A,8B,9,10-DECAHYDRO-1,4:5,8-DIMETHANOANTHRACENE-9,10-DIONE1,4,4ALPHA,5,8,8ALPHA,9ALPHA,10ALPHA-OCTAHYDRO-1,4,5,8-DIMETHANO-9,10-ANTHRAQUINONE
CHEMBL4792185ZCJHLBHJGLCVRU-UHFFFAOYSA-NRCL S63941NSC15076RCL S967645NSC-15076NSC-25350NSC102305
Database identifiers
- CAS
5439-22-5- PubChem CID
- 225535
- DTXSID
DTXSID60280003- ChEMBL
CHEMBL4792185- Nikkaji
- J2.672.656E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 441
Chemistry & industry
Suppliers2 total
苏州斯凯诺森生物科技有限公司19951323309 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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