Basic information
- CAS
105702-16-7- Standard SMILES
O=C1CCCCC1=Cc1ccc2c(c1)OCO2- InChIKey
YVFYDEPCZZASHY-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethylidene)cyclohexan-1-one
Names & synonyms
Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-105702-16-7DTXSID40282025RefChem:335554DTXCID00233179SCHEMBL115015812-[(2H-1,3-benzodioxol-5-yl)methylidene]cyclohexan-1-one
Database identifiers
- CAS
105702-16-7- PubChem CID
- 229849
- DTXSID
DTXSID40282025
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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