Basic information
- CAS
30003-26-0- Standard SMILES
CC1CC(O)C(C)O1- InChIKey
PCMJRNYEMLQEJG-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 1,4-Anhydro-2,5-dideoxy-1-methylpentitol
- IUPAC
- 2,5-dimethyloxolan-3-ol
- English name
- 2,5-diMethyltetrahydrofuran-3-ol
- Molecular formula
- C6H12O2
- Molecular weight
- 116.15828
Names & synonyms
30003-26-0DTXSID009524141,4-Anhydro-2,5-dideoxy-1-methylpentitolRefChem:1053147DTXCID4013805042,5-Dimethyltetrahydro-3-furanol3-FURANOL, TETRAHYDRO-2,5-DIMETHYL-2,5-dimethyltetrahydrofuran-3-olSCHEMBL115627542,5-dimethyloxolan-3-ol
Database identifiers
- CAS
30003-26-0- PubChem CID
- 34769
- DTXSID
DTXSID00952414
Properties
Computed structural properties
- XLogP
- 0.5
- 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
- 82.6
Physicochemical properties
- Boiling point
- 177.22 °C · 177.22°C (rough estimate)
- Density
- 0.9958 · 0.9958 (rough estimate)
- refractive index
- 1.427 · 1.4270 (estimate)
- Water Solubility
- 166.7 g/L · 166.7g/L(room temperature)
Chemistry & industry
Suppliers1 total
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…