Basic information
- CAS
20389-20-2- Standard SMILES
OC1(O)C(O)(O)C(O)(O)C1(O)O- InChIKey
ADRTUUJLFGQSBE-UHFFFAOYSA-N- Molecular formula
- C4H8O8
- Average molar mass
- 184.1 g/mol
- Monoisotopic mass
- 184.02191721
Names & identifiers
- Preferred name
- Cyclobutaneoctol
- IUPAC
- cyclobutane-1,1,2,2,3,3,4,4-octol
- English name
- Octahydroxycyclobutane
- Molecular formula
- C4H8O8
- Molecular weight
- 184.1
Names & synonyms
CyclobutaneoctolOctahydroxycyclobutane20389-20-2cyclobutane-1,1,2,2,3,3,4,4-octolOctahydroxycyclobutanSCHEMBL7160330DTXSID30336420ADRTUUJLFGQSBE-UHFFFAOYSA-NAKOS0062792371,1,2,2,3,3,4,4-Cyclobutaneoctol #1,1,2,2,3,3,4,4-Cyclobutaneoctol
Database identifiers
- CAS
20389-20-2- PubChem CID
- 533693
- DTXSID
DTXSID30336420- Nikkaji
- J82.959E
Properties
Computed structural properties
- XLogP
- -5.5
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Boiling point
- 61.9 · 61.9±40.0 °C(Predicted)
- Density
- 4.534 · 4.534±0.06 g/cm3(Predicted)
- pka
- 9.94 · 9.94±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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