2,4-Ethanobiscyclopropa(4,5)cyclopenta(1,2,3-cd:1',2',3'gh)pentalene-5,6-dione, tetradecahydro-, (1aalpha,1bbeta,2alpha,2abeta,2balpha,3aalpha,3bbeta,3cbeta,3dbeta,4alpha,4abeta,4b.
Basic information
- CAS
68217-20-9- Standard SMILES
O=C1C(=O)C2C3C4CC4C4C1C1C5CC5C2C1C43- InChIKey
KPZGVZVLGTZKGK-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- 2,4-Ethanobiscyclopropa(4,5)cyclopenta(1,2,3-cd:1',2',3'gh)pentalene-5,6-dione, tetradecahydro-, (1aalpha,1bbeta,2alpha,2abeta,2balpha,3aalpha,3bbeta,3cbeta,3dbeta,4alpha,4abeta,4b.
- IUPAC
- heptacyclo[7.7.0.02,13.03,8.04,12.05,7.014,16]hexadecane-10,11-dione
- English name
- Heptacyclo[7.7.0.02,13.03,8.04,12.05,7.014,16]hexadecane-10,11-dione
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
68217-20-92,4-Ethanobiscyclopropa(4,5)cyclopenta(1,2,3-cd:1',2',3'gh)pentalene-5,6-dione, tetradecahydro-, (1aalpha,1bbeta,2alpha,2abeta,2balpha,3aalpha,3bbeta,3cbeta,3dbeta,4alpha,4abeta,4b.DTXSID80987729RCL T201332AKOS0243300802,4-Ethanobiscyclopropa[4,5]cyclopenta[1,2,3-cd:1',2',3'gh]pentalene-5,6-dione,tetradecahydro-(1a.alpha.,1b.beta.,2.alpha.,2a.beta.,2b.alpha.,3a.alpha.,3b.beta.,3c.beta.,3d.beta.,4.alpha.,4a.beta.,4b.alpha.)-Tetradecahydro-2,4-ethanobiscyclopropa[4,5]cyclopenta[1,2,3-cd:1',2',3'-gh]pentalene-5,6-dioneRCL T201332Heptacyclo[7.7.0.02,13.03,8.04,12.05,7.014,16]hexadecane-10,11-dione2,4-Ethanobiscyclopropa[4,5]cyclopenta[1,2,3-cd:1',2',3'-gh]pentalene-5,6-dione, tetradecahydro-, (1aα,1bβ,2α,2aβ,2bα,3aα,3bβ,3cβ,3dβ,4α,4aβ,4bα)-
Database identifiers
- CAS
68217-20-9- PubChem CID
- 144292
- DTXSID
DTXSID80987729
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
- 483
Physicochemical properties
- Boiling point
- 391.9 · 391.9±11.0 °C(Predicted)
- Density
- 1.474 · 1.474±0.06 g/cm3(Predicted)
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Compound notes
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