1,4-Anhydro-2,5-dideoxy-1-ethyl-1-methylpentitol
Basic information
- CAS
29839-60-9- Standard SMILES
CCC1(C)CC(O)C(C)O1- InChIKey
CXYOPONFFFZKNL-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 1,4-Anhydro-2,5-dideoxy-1-ethyl-1-methylpentitol
- IUPAC
- 5-ethyl-2,5-dimethyloxolan-3-ol
Names & synonyms
29839-60-9DTXSID009522771,4-Anhydro-2,5-dideoxy-1-ethyl-1-methylpentitolRefChem:1053144DTXCID3013803752,5-Dimethyl-5-ethyltetrahydro-3-furanol5-ethyl-2,5-dimethyloxolan-3-ol3-FURANOL, TETRAHYDRO-2,5-DIMETHYL-5-ETHYL-
Database identifiers
- CAS
29839-60-9- PubChem CID
- 34717
- DTXSID
DTXSID00952277
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
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Compound notes
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