Basic information
- CAS
29839-58-5- Standard SMILES
CCC1(O)CC(C)OC1(C)C- InChIKey
KRIRCZNVMJAGJY-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol
- IUPAC
- 3-ethyl-2,2,5-trimethyloxolan-3-ol
Names & synonyms
29839-58-5DTXSID809522751,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitolRefChem:1053149DTXCID9013803733-Ethyl-2,2,5-trimethyltetrahydrofuran-3-ol3-FURANOL, TETRAHYDRO-3-ETHYL-2,2,5-TRIMETHYL-
Database identifiers
- CAS
29839-58-5- PubChem CID
- 34715
- DTXSID
DTXSID80952275
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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