Basic information
- CAS
25910-96-7- Standard SMILES
CC1(O)COC1(C)C- InChIKey
IJLWEMUMGKKJCD-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 2,2,3-Trimethyl-3-oxetanol
- IUPAC
- 2,2,3-trimethyloxetan-3-ol
- English name
- 2,2,3-Trimethyl-3-oxetanol
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
2,2,3-trimethyloxetan-3-ol25910-96-72,2,3-Trimethyl-3-oxetanol3-Oxetanol, 2,2,3-trimethyl-SCHEMBL31268428DTXSID203369342,2,3-Trimethyl-3-oxetanol #IJLWEMUMGKKJCD-UHFFFAOYSA-N
Database identifiers
- CAS
25910-96-7- PubChem CID
- 537396
- DTXSID
DTXSID20336934- Nikkaji
- J133.684C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 142.6 · 142.6±8.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.40(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…