Basic information
- CAS
16778-26-0- Standard SMILES
CC1(C)C=C2OC(=O)CC2(C)CC1- InChIKey
NCBAGYYDKGFEFQ-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 3a,6,6-trimethyl-4,5-dihydro-3H-1-benzofuran-2-one
- IUPAC
- 3a,6,6-trimethyl-4,5-dihydro-3H-1-benzofuran-2-one
- English name
- 3a,4,5,6-Tetrahydro-3a,6,6-trimethylbenzofuran-2(3H)-one
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
3a,6,6-trimethyl-4,5-dihydro-3H-1-benzofuran-2-one16778-26-0DTXSID00344411RefChem:282851DTXCID702954863a,4,5,6-Tetrahydro-3a,6,6-trimethylbenzofuran-2(3H)-one1,4,4-Trimethylcyclohexan-2-oneacetic acid enol lactoneNCBAGYYDKGFEFQ-UHFFFAOYSA-N2(3H)-Benzofuranone, 3a,4,5,6-tetrahydro-3a,6,6-trimethyl-3a,6,6-Trimethyl-3a,4,5,6-tetrahydro-1-benzofuran-2(3H)-one3a,6,6-Trimethyl-3a,4,5,6-tetrahydro-1-benzofuran-2(3H)-one #
Database identifiers
- CAS
16778-26-0- PubChem CID
- 596704
- DTXSID
DTXSID00344411- Nikkaji
- J99.558D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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