Basic information
- CAS
29839-73-4- Standard SMILES
CCCC1(C)CC(O)C(CC)O1- InChIKey
ZRHKFHFDIFSHBD-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 1,4-Anhydro-3,5-dideoxy-1-ethyl-4-propylpentitol
- IUPAC
- 2-ethyl-5-methyl-5-propyloxolan-3-ol
Names & synonyms
29839-73-4DTXSID109522881,4-Anhydro-3,5-dideoxy-1-ethyl-4-propylpentitolRefChem:1053148DTXCID6013803862-Ethyl-5-methyl-5-propyltetrahydro-3-furanol2-ethyl-5-methyl-5-propyloxolan-3-ol3-FURANOL, TETRAHYDRO-2-ETHYL-5-METHYL-5-PROPYL-
Database identifiers
- CAS
29839-73-4- PubChem CID
- 34729
- DTXSID
DTXSID10952288
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…