1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-Tetradecahydroperylene
Basic information
- CAS
7594-86-7- Standard SMILES
C1Cc2c3c4c(c5c2C(C1)CCC5)CCCC4CCC3- InChIKey
JAEIWHRMTMZKDG-UHFFFAOYSA-N- Molecular formula
- C20H26
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.20345083
Names & identifiers
- Preferred name
- 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-Tetradecahydroperylene
- IUPAC
- 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydroperylene
- English name
- 1,2,3,3A,4,5,6,7,8,9,9A,10,11,12-TETRADECAHYDROPERYLENE
- Molecular formula
- C20H26
- Molecular weight
- 266.42
Names & synonyms
1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-Tetradecahydroperylene7594-86-7DTXSID50296931Perylene, 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydro-RefChem:214237DTXCID20248068JAEIWHRMTMZKDG-UHFFFAOYSA-NNSC112731NSC-112731DB-2157501,3,3a,4,5,6,7,8,9,9a,10,11,12-Tetradecahydroperylene1,2,3,3A,4,5,6,7,8,9,9a,10,11,12-tetradecahydro-perylene
Show more names
1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-Tetradecahydroperylene in toluene
Perylene,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydro-
Database identifiers
- CAS
7594-86-7- PubChem CID
- 270342
- DTXSID
DTXSID50296931- Nikkaji
- J110.638D
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 396 · 396.0±37.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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