Basic information
- CAS
97720-37-1- Standard SMILES
CC(C)(C)C12COC(C3CCCCC3)(OC1)OC2- InChIKey
MYJNSONGYPIOFA-UHFFFAOYSA-N- Molecular formula
- C15H26O3
- Average molar mass
- 254.36 g/mol
- Monoisotopic mass
- 254.18819469
Names & identifiers
- Preferred name
- Cyclohexaneorthocarboxylic acid, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
- IUPAC
- 4-tert-butyl-1-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
1-Cyclohexyl-4-tert-butylbicycloorthocarboxylateCyclohexaneorthocarboxylic acid, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol97720-37-1DTXSID102432042,6,7-Trioxabicyclo(2.2.2)octane, 1-cyclohexyl-4-(1,1-dimethylethyl)-RefChem:335399DTXCID70165695SCHEMBL96688034-tert-Butyl-1-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
97720-37-1- PubChem CID
- 175757
- DTXSID
DTXSID10243204
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…