Basic information
- CAS
88580-84-1- Standard SMILES
CC(C)=C1CC(=O)C2(C)CC(=O)OC2C1- InChIKey
UJYCACMVCCHIJF-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2,4-Benzofurandione, hexahydro-3a-methyl-6-(1-methylethenyl)-, (3aR-(3a-alpha,6-alpha,7a-alpha))-
- IUPAC
- 3a-methyl-6-propan-2-ylidene-7,7a-dihydro-3H-1-benzofuran-2,4-dione
Names & synonyms
2,4-Benzofurandione, hexahydro-3a-methyl-6-(1-methylethenyl)-, (3aR-(3a-alpha,6-alpha,7a-alpha))-RefChem:105966588580-84-1Benzofuran-2,4(3H,5H)-dione, tetrahydro-3a-methyl-6-(1-methylethenyl)-, (3ar,6R,7ar)-BRN 5740506DTXSID1010082423a-methyl-6-propan-2-ylidene-7,7a-dihydro-3H-1-benzofuran-2,4-dione3a-Methyl-6-(propan-2-ylidene)hexahydro-1-benzofuran-2,4-dione
Database identifiers
- CAS
88580-84-1- PubChem CID
- 55834
- DTXSID
DTXSID101008242
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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