Basic information
- Standard SMILES
CC(C)Oc1ccc2c(c1)C(=O)CCCC2- InChIKey
JAYMYYSUABQTNX-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
Names & identifiers
- Preferred name
- 2-Isopropoxy-6,7,8,9-Tetrahydro-5H-benzocyclohepten-9-one
- IUPAC
- 3-propan-2-yloxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Names & synonyms
SCHEMBL7951489JAYMYYSUABQTNX-UHFFFAOYSA-N3-Isopropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-oneMFCD16862687AKOS01202516387452-00-4SY3657812-Isopropoxy-6,7,8,9-Tetrahydro-5H-benzocyclohepten-9-one
Database identifiers
- PubChem CID
- 21996444
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
2 records
Compound notes
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