Basic information
- Standard SMILES
CC1CCCC2(C)CC(C)(C)OC12- InChIKey
MTGRYMBXBGBEAB-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
Names & identifiers
- Preferred name
- 2,2,3a,7-Tetramethyl-octahydro-benzofuran
- IUPAC
- 2,2,3a,7-tetramethyl-3,4,5,6,7,7a-hexahydro-1-benzofuran
Names & synonyms
SCHEMBL15129790MTGRYMBXBGBEAB-UHFFFAOYSA-N2,2,3a,7-tetramethyl-octahydro-benzofuran
Database identifiers
- PubChem CID
- 89705102
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Related reactions
2 records
Compound notes
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