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Basic information
- CAS
108614-38-6- Standard SMILES
C#Cc1ccc(C23OCC(C4CCCCC4)(CO2)CO3)cc1- InChIKey
CSIFPTAATWHCSL-UHFFFAOYSA-N- Molecular formula
- C19H22O3
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.15689456
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 4-cyclohexyl-1-(4-ethylnylphenyl)-
- IUPAC
- 4-cyclohexyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
BRN 36245004-Cyclohexyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane2,6,7-Trioxabicyclo(2.2.2)octane, 4-cyclohexyl-1-(4-ethylnylphenyl)-108614-38-6DTXSID901486424-cyclohexyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octaneRefChem:247958DTXCID9071133SCHEMBL9204134CSIFPTAATWHCSL-UHFFFAOYSA-N
Database identifiers
- CAS
108614-38-6- PubChem CID
- 176087
- DTXSID
DTXSID90148642
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
1 records
Compound notes
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