Basic information
- CAS
54774-94-6- Standard SMILES
CC(=O)OC12CCC(O)(CC1)CC2- InChIKey
OSRXXHFYYBJIOW-UHFFFAOYSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Names & identifiers
- Preferred name
- Bicyclo(2.2.2)octane-1,4-diol, monoacetate
- IUPAC
- (4-hydroxy-1-bicyclo[2.2.2]octanyl) acetate
- English name
- Bicyclo[2.2.2]octane-1,4-diol 1-acetate
- Molecular formula
- C10H16O3
- Molecular weight
- 184.23
Names & synonyms
54774-94-6BICYCLO(2.2.2)OCTANE-1,4-DIOL, MONOACETATEBicyclo[2.2.2]octane-1,4-diol, monoacetateDTXSID10203242RefChem:329274DTXCID101257334-hydroxybicyclo[2.2.2]octan-1-yl acetateBicyclo[2.2.2]octane-1,4-diol 1-acetateSCHEMBL20898647OSRXXHFYYBJIOW-UHFFFAOYSA-NDB-3187474-Hydroxybicyclo[2.2.2]oct-1-yl acetate #
Database identifiers
- CAS
54774-94-6- PubChem CID
- 41173
- DTXSID
DTXSID10203242- Nikkaji
- J99.460J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…