4a-(Prop-2-en-1-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
Basic information
- CAS
71280-38-1- Standard SMILES
C=CCC12CCCCC1=CC(=O)CC2- InChIKey
CNFCTAGBKZKUEB-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 4a-(Prop-2-en-1-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
- IUPAC
- 4a-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Names & synonyms
71280-38-14a-(prop-2-en-1-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-oneNSC151703ghl.PD_Mitscher_leg0.544DTXSID70302508NSC-151703
Database identifiers
- CAS
71280-38-1- PubChem CID
- 289530
- DTXSID
DTXSID70302508
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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