3-Furanol, tetrahydro-2-butyl-5,5-dimethyl-
Basic information
- CAS
29839-71-2- Standard SMILES
CCCCC1OC(C)(C)CC1O- InChIKey
OOCJAGGSLNLUFC-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 3-Furanol, tetrahydro-2-butyl-5,5-dimethyl-
- IUPAC
- 2-butyl-5,5-dimethyloxolan-3-ol
Names & synonyms
29839-71-23-FURANOL, TETRAHYDRO-2-BUTYL-5,5-DIMETHYL-RefChem:10678662-butyl-5,5-dimethyloxolan-3-ol2-Butyl-5,5-dimethyltetrahydro-3-furanolDTXSID90952286
Database identifiers
- CAS
29839-71-2- PubChem CID
- 34727
- DTXSID
DTXSID90952286
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
- 143
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Compound notes
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