Basic information
- CAS
16154-18-0- Standard SMILES
CCC12CCC(=O)C=C1CCCC2=O- InChIKey
CWQZHEQFLXDTFQ-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 8a-Ethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2h,7h)-dione
- IUPAC
- 8a-ethyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
Names & synonyms
16154-18-0NSC1554518a-ethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2h,7h)-dioneDTXSID90302949NSC-155451
Database identifiers
- CAS
16154-18-0- PubChem CID
- 290963
- DTXSID
DTXSID90302949
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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