Basic information
- CAS
29839-51-8- Standard SMILES
CC(C)CC1(C)CC(O)CO1- InChIKey
AFAJBVARUOVQBX-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 3-Furanol, tetrahydro-5-isobutyl-5-methyl-
- IUPAC
- 5-methyl-5-(2-methylpropyl)oxolan-3-ol
Names & synonyms
29839-51-83-FURANOL, TETRAHYDRO-5-ISOBUTYL-5-METHYL-RefChem:10678735-Isobutyl-5-methyltetrahydro-3-furanolDTXSID109522682,5-Anhydro-1,3-dideoxy-2-(2-methylpropyl)pentitol
Database identifiers
- CAS
29839-51-8- PubChem CID
- 34708
- DTXSID
DTXSID10952268
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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