5,6-Dimethoxy-1,1-dimethyl-2,3-dihydro-1H-indene
Basic information
- CAS
51458-29-8- Standard SMILES
COc1cc2c(cc1OC)C(C)(C)CC2- InChIKey
ZBRFYRYTIDIQIE-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-1,1-dimethyl-2,3-dihydro-1H-indene
- IUPAC
- 5,6-dimethoxy-3,3-dimethyl-1,2-dihydroindene
Names & synonyms
5,6-Dimethoxy-1,1-dimethyl-2,3-dihydro-1H-indene51458-29-8SCHEMBL6785200DTXSID6012405022,3-Dihydro-5,6-dimethoxy-1,1-dimethyl-1H-indene
Database identifiers
- CAS
51458-29-8- PubChem CID
- 22609482
- DTXSID
DTXSID601240502- Nikkaji
- J2.526.914D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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