Basic information
- CAS
281-32-3- Standard SMILES
C1C2CC3CC1OC(O2)O3- InChIKey
VUIDKQHXAUDXKD-UHFFFAOYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
- Monoisotopic mass
- 142.06299418
Names & identifiers
- Preferred name
- 2,4,10-Trioxaadamantane
- IUPAC
- 2,4,10-trioxatricyclo[3.3.1.13,7]decane
Names & synonyms
281-32-32,4,10-Trioxatricyclo(3.3.1.1(3,7))decane2,4,10-TRIOXAADAMANTANE2,8,9-trioxaadamantane2,4,10-trioxatricyclo[3.3.1.13,7]decaneSCHEMBL339210VUIDKQHXAUDXKD-UHFFFAOYSA-DTXSID801823782,4,10-Trioxatricyclo-[3.3.1.13,7]decane2,4,10-Trioxatricyclo[3.3.1.1~3,7~]decaneInChI=1/C7H10O3/c1-4-2-6-3-5(1)9-7(8-4)10-6/h4-7H,1-3H2
Database identifiers
- CAS
281-32-3- PubChem CID
- 9239
- DTXSID
DTXSID80182378- Nikkaji
- J1.557.844K、J2.051.509K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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