Basic information
- CAS
7040-42-8- Standard SMILES
CC(C)(C)c1ccoc1- InChIKey
RTYRAGNYEHJQPY-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- Furan, 3-(1,1-dimethylethyl-
- IUPAC
- 3-tert-butylfuran
Names & synonyms
3-tert-butylfuranFuran, 3-(1,1-dimethylethyl-7040-42-83-t-butylfuranfuran, 3-(1,1-dimethylethyl)-SCHEMBL275794SCHEMBL276349SCHEMBL419053Furan,3-(1,1-dimethylethyl-SCHEMBL10415878SCHEMBL14763940DTXSID90220674
Show more names
InChI=1/C8H12O/c1-8(2,3)7-4-5-9-6-7/h4-6H,1-3H
Database identifiers
- CAS
7040-42-8- PubChem CID
- 138902
- DTXSID
DTXSID90220674
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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