Basic information
- CAS
36117-21-2- Standard SMILES
CC1C[C@@H]2CCC[C@H]2[C@@H]2CCC3CCCC[C@@H]3[C@@H]12- InChIKey
FESONXZAUJAEPN-QWQOMMGDSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Names & identifiers
- Preferred name
- 11-Methylcyclopenta(a)phenanthrene
- IUPAC
- (8S,9R,10S,13S,14R)-11-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
- English name
- 11-Methyl-11H-cyclopenta[a]phenanthrene
- Molecular weight
- 0
Names & synonyms
11-Methylcyclopenta(a)phenanthrene36117-21-211-methylgonane11-Methyl-11H-cyclopenta(a)phenanthrene11H-Cyclopenta(a)phenanthrene, 11-methyl-DTXSID9095753411-Methyl-11H-cyclopenta[a]phenanthrene
Database identifiers
- CAS
36117-21-2- PubChem CID
- 169751
- DTXSID
DTXSID90957534
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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