2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one
Basic information
- CAS
20194-67-6- Standard SMILES
CC1CC=C2C(C)(C)CC(=O)CC2(C)O1- InChIKey
PYUYJSFTZPYHDW-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Overview
2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is a benzopyran.
Names & identifiers
- Preferred name
- 2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one
- IUPAC
- 2,5,5,8a-tetramethyl-2,3,6,8-tetrahydrochromen-7-one
Names & synonyms
2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one398TLU6EO0UNII-398TLU6EO01,3,7,7-Tetramethyl-2-oxabicyclo(4.4.0)dec-5-ene-9-one2,3,6,7,8,8a-Hexahydro-7-oxo-2,5,5,8a-tetramethyl-5H-1-benzopyran5H-1-Benzopyran-7-one, 2,3,6,7,8,8a-hexahydro-2,5,5,8a-tetramethyl-7H-1-Benzopyran-7-one, 2,3,5,6,8,8a-hexahydro-2,5,5,8a-tetramethyl-2,5,5,8a-tetramethyl-2,3,6,8-tetrahydrochromen-7-one2,5,5,8a-tetramethyl-3,5,6,7,8,8a-hexahydro-2H-1-benzopyran-7-oneRefChem:8134820194-67-63,4-Dihydro-3-oxoedulan
Show more names
SCHEMBL30229456CHEBI:1972651,3,7,7-Tetramethyl-9-oxo-2-oxabicyclo[4.4.0]dec-5-eneDTXSID6011676372,5,5,8a-Tetramethyl-2,3,5,6,8,8a-hexahydro-7H-chromen-7-one2,5,5,8a-Tetramethyl-2,3,5,6,8,8a-hexahydro-7H-1-benzopyran-7-one2,5,5,8a-Tetramethyl-2,3,5,6,8,8a-hexahydro-7H-chromen-7-one #
Database identifiers
- CAS
20194-67-6- PubChem CID
- 540316
- DTXSID
DTXSID601167637- ChEBI
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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