3H-Spiro[1,4-benzodioxine-2,1'-cyclohexane]
Basic information
- CAS
870717-18-3- Standard SMILES
c1ccc2c(c1)OCC1(CCCCC1)O2- InChIKey
PHDMATVOOUJQJD-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 3H-Spiro[1,4-benzodioxine-2,1'-cyclohexane]
- IUPAC
- spiro[2H-1,4-benzodioxine-3,1'-cyclohexane]
- English name
- Spiro[1,4-benzodioxin-2(3H),1-cyclohexane] (9CI)
- Molecular formula
- C13H16O2
- Molecular weight
- 0
Names & synonyms
870717-18-33H-Spiro[1,4-benzodioxine-2,1'-cyclohexane]DTXSID806692703H-Spiro[[1,4]benzodioxine-2,1'-cyclohexane]Spiro[1,4-benzodioxin-2(3H),1-cyclohexane] (9CI)
Database identifiers
- CAS
870717-18-3- PubChem CID
- 45122018
- DTXSID
DTXSID80669270
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
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Related reactions
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Compound notes
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