Basic information
- CAS
6040-45-5- Standard SMILES
CC1(C)C2CCC1(C)C2C=O- InChIKey
AGTSNXAZDKAPHU-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
Photocitral B has been reported in Diplotaenia cachrydifolia and Pelargonium citronellum with data available.
Names & identifiers
- Preferred name
- Photocitral B
- IUPAC
- 1,6,6-trimethylbicyclo[2.1.1]hexane-5-carbaldehyde
Names & synonyms
Photocitral BDTXSID803045386040-45-5RefChem:173947DTXCID60255670AGTSNXAZDKAPHU-UHFFFAOYSA-N1,6,6-trimethylbicyclo[2.1.1]hexane-5-carbaldehyde1753-99-7NSC166191SCHEMBL30105666NSC-166191
Database identifiers
- CAS
6040-45-5- PubChem CID
- 296248
- DTXSID
DTXSID80304538
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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