Furan, 2,5-dihydro-2,2,4-trimethyl-
Basic information
- CAS
23230-79-7- Standard SMILES
CC1=CC(C)(C)OC1- InChIKey
SVBBTSDNQKBPLS-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- Furan, 2,5-dihydro-2,2,4-trimethyl-
- IUPAC
- 3,5,5-trimethyl-2H-furan
- English name
- 2,5-Dihydro-2,2,4-trimethylfuran
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
Furan, 2,5-dihydro-2,2,4-trimethyl-23230-79-7DTXSID30340623RefChem:345767DTXCID50291704SVBBTSDNQKBPLS-UHFFFAOYSA-N2,2,4-Trimethyl-2,5-dihydrofuran2,5-Dihydro-2,2,4-trimethylfuranSCHEMBL158666802,2,4-Trimethyl-2,5-dihydrofuran #DB-239542
Database identifiers
- CAS
23230-79-7- PubChem CID
- 566136
- DTXSID
DTXSID30340623- Nikkaji
- J113.090K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 119.3 · 119.3±29.0 °C(Predicted)
- Density
- 0.866 · 0.866±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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