1H-Cyclopenta(a)chrysene, 3-ethyl-2,3-dihydro-8-methyl-
Basic information
- CAS
59279-20-8- Standard SMILES
CCC1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12- InChIKey
PLRIOJGBYCEMLT-UHFFFAOYSA-N- Molecular formula
- C24H22
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.1721507
Names & identifiers
- Preferred name
- 1H-Cyclopenta(a)chrysene, 3-ethyl-2,3-dihydro-8-methyl-
- IUPAC
- 3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene
Names & synonyms
59279-20-81H-Cyclopenta(a)chrysene, 3-ethyl-2,3-dihydro-8-methyl-RefChem:2377353-ethyl-8-methyl-2,3-dihydro-1h-cyclopenta[a]chryseneDTXSID10974703
Database identifiers
- CAS
59279-20-8- PubChem CID
- 189999
- DTXSID
DTXSID10974703- Nikkaji
- J3.378.258F
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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