1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
Basic information
- CAS
68298-34-0- Standard SMILES
CC=CC(=O)c1cc2c(cc1C)C(C)(C)CC2(C)C- InChIKey
VHGRISIIWCHDBX-UHFFFAOYSA-N- Molecular formula
- C18H24O
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.18271539
Names & identifiers
- Preferred name
- 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
- IUPAC
- 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
Names & synonyms
NS00036523
Database identifiers
- CAS
68298-34-0- PubChem CID
- 109985
- DTXSID
DTXSID0071384
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…