Basic information
- CAS
97720-38-2- Standard SMILES
CC(C)C12COC(C3CCCCCC3)(OC1)OC2- InChIKey
AHNVODNCOKVXDF-UHFFFAOYSA-N- Molecular formula
- C15H26O3
- Average molar mass
- 254.36 g/mol
- Monoisotopic mass
- 254.18819469
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cycloheptyl-4-(1-methylethyl)-
- IUPAC
- 1-cycloheptyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
1-Cycloheptyl-4-isopropylbicycloorthocarboxylate2,6,7-Trioxabicyclo(2.2.2)octane, 1-cycloheptyl-4-(1-methylethyl)-97720-38-2DTXSID702432051-Cycloheptyl-4-(1-methylethyl)-2,6,7-trioxabicyclo(2.2.2)octaneRefChem:247934DTXCID301656961-Cycloheptyl-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
97720-38-2- PubChem CID
- 175758
- DTXSID
DTXSID70243205
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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