Basic information
- Standard SMILES
CC(=O)c1ccc2c(c1)C(C)(C)CCO2- InChIKey
APBGIHIRYOFIJA-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 1-(4,4-Dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
- IUPAC
- 1-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanone
Names & synonyms
88579-19-51-(4,4-Dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-oneDTXSID30541794RefChem:224621DTXCID804925804,4-dimethyl-6-acetylchromane1-(4,4-dimethylchroman-6-yl)ethanone6-acetyl-4,4-dimethylchroman4,4-Dimethyl-6-acetylchromanSCHEMBL22406834,4-dimethyl-6-acetyl chromanAPBGIHIRYOFIJA-UHFFFAOYSA-N
Show more names
DB-339904
Database identifiers
- CAS
88579-19-5- PubChem CID
- 13478160
- DTXSID
DTXSID30541794- Nikkaji
- J554.257J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Related reactions
35 records
Linked notes
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