Basic information
- CAS
2654-70-8- Standard SMILES
CC1=C(O)C(=O)C(C(C)C)=C(O)C1=O- InChIKey
ODVDEPJSFWJDGU-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methyl-6-(1-methylethyl)-
- IUPAC
- 2,5-dihydroxy-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dione
- English name
- 3,6-Dihydroxy-p-mentha-3,6(1)-diene-2,5-dione
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
2654-70-82,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methyl-6-(1-methylethyl)-DTXSID50181111RefChem:827332,5-dihydroxy-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dioneDTXCID601036022,5-dihydroxy-3-methyl-6-(propan-2-yl)cyclohexa-2,5-diene-1,4-dioneSCHEMBL9175310ODVDEPJSFWJDGU-UHFFFAOYSA-NAKOS0062859302,5-Dihydroxy-3-isopropyl-6-methylbenzo-1,4-quinone #3,6-Dihydroxy-p-mentha-3,6(1)-diene-2,5-dione
Show more names
2-Isopropyl-3,6-dihydroxy-5-methyl-2,5-cyclohexadiene-1,4-dione2,5-Dihydroxy-3-methyl-6-isopropyl-2,5-cyclohexadiene-1,4-dione
Database identifiers
- CAS
2654-70-8- PubChem CID
- 75864
- DTXSID
DTXSID50181111
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…