Basic information
- Standard SMILES
COC(=O)c1cccc2c1OC(C)(C)CC2- InChIKey
YWZWQQRLUNITNE-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Methyl 2,2-dimethylchroman-8-carboxylate
- IUPAC
- methyl 2,2-dimethyl-3,4-dihydrochromene-8-carboxylate
Names & synonyms
methyl 2,2-dimethylchroman-8-carboxylate1350761-44-2methyl 2,2-dimethyl-3,4-dihydrochromene-8-carboxylateSCHEMBL673400YWZWQQRLUNITNE-UHFFFAOYSA-NDA-11727methyl 2,2-dimethyl-3,4-dihydro-2H-chromene-8-carboxylate
Database identifiers
- PubChem CID
- 66765741
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
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