3,13-Dipropylhexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-11-one
Basic information
- CAS
77930-39-3- Standard SMILES
CCCc1c2c(c(CCC)c3c1-c1cccc4cccc-3c14)-c1ccccc1C2=O- InChIKey
ROORFJLVFWDZCU-UHFFFAOYSA-N- Molecular formula
- C29H24O
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.18271539
Names & identifiers
- Preferred name
- 3,13-Dipropylhexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-11-one
- IUPAC
- 3,13-dipropylhexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-11-one
Names & synonyms
NSC32569077930-39-3DTXSID10318087NSC-3256907,13-Dipropyl-12H-indeno[1,2-k]fluoranthen-12-one
Database identifiers
- CAS
77930-39-3- PubChem CID
- 331664
- DTXSID
DTXSID10318087
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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