Isomintlactone
Basic information
- CAS
75684-66-1- Standard SMILES
CC1=C2CC[C@@H](C)C[C@@H]2OC1=O- InChIKey
VUVQBYIJRDUVHT-MUWHJKNJSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- Isomintlactone
- IUPAC
- (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
Names & synonyms
IsomintlactoneM282R422LI2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aS)-75684-66-12(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R-cis)-DTXSID30226599RefChem:1495533,6-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-oneDTXCID10149090UNII-M282R422LI(+/-)-Isomintlactone(6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
Show more names
SCHEMBL25381537VUVQBYIJRDUVHT-MUWHJKNJSA-NQ27283387InChI=1/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3/t6-,9+/m1/s
Database identifiers
- CAS
75684-66-1- PubChem CID
- 642876
- DTXSID
DTXSID30226599- UNII
- M282R422LI
- Nikkaji
- J11.289E
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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