3,3-Dimethylhexahydro-2-benzofuran-1(3h)-one
Basic information
- CAS
17351-10-9- Standard SMILES
CC1(C)OC(=O)C2CCCCC21- InChIKey
UPMLSDVHIQUHDV-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 3,3-Dimethylhexahydro-2-benzofuran-1(3h)-one
- IUPAC
- 3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
Names & synonyms
17351-10-93,3-dimethylhexahydro-2-benzofuran-1(3h)-oneNSC140618SCHEMBL13588296DTXSID00938399AKOS004907840NSC-140618
Database identifiers
- CAS
17351-10-9- PubChem CID
- 284592
- DTXSID
DTXSID00938399- Nikkaji
- J1.868.919G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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