2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3-methoxy-1-propynyl)phenyl)-4-propyl-
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Basic information
- CAS
108613-91-8- Standard SMILES
CCCC12COC(c3ccc(C#CCOC)cc3)(OC1)OC2- InChIKey
VIISIOYUQNHWSX-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3-methoxy-1-propynyl)phenyl)-4-propyl-
- IUPAC
- 1-[4-(3-methoxyprop-1-ynyl)phenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
- English name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3-methoxy-1-propynyl)phenyl)-4 -propyl-
- Molecular formula
- C18H22O4
- Molecular weight
- 302.37
Names & synonyms
108613-91-82,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3-methoxy-1-propynyl)phenyl)-4-propyl-1-(4-(3-Methoxy-1-propynyl)phenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octaneDTXSID70148625RefChem:247910DTXCID6071116SCHEMBL92122021-[4-(3-methoxyprop-1-ynyl)phenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3-methoxy-1-propynyl)phenyl)-4 -propyl-1-[4-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-4-PROPYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
Database identifiers
- CAS
108613-91-8- PubChem CID
- 3065682
- DTXSID
DTXSID70148625
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 389.366 · 389.366±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.174 · 1.174±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
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Compound notes
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