Didehydrofalcarinol
Basic information
- CAS
110927-49-6- Standard SMILES
C=CCCC/C=C\C=C/CC#CC#C[C@H](O)C=C- InChIKey
ADKVNLJOJPLERM-GMBPKHMRSA-N- Molecular formula
- C17H20O
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.15141526
Overview
Didehydrofalcarinol has been reported in Hedera helix with data available.
Names & identifiers
- Preferred name
- Didehydrofalcarinol
- IUPAC
- (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol
- English name
- didehydrofalcarinol
- Molecular formula
- C17H20O
- Molecular weight
- 240.34
Names & synonyms
Didehydrofalcarinol110927-49-6(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-olRefChem:133276DTXSID7013840361,9,11,16-Heptadecatetraene-4,6-diyn-3-ol, (R-(Z,Z))-1,9,11,16-Heptadecatetraene-4,6-diyn-3-ol, (3R,9Z,11Z)-
Database identifiers
- CAS
110927-49-6- PubChem CID
- 6442009
- DTXSID
DTXSID701384036
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Boiling point
- 397.5 · 397.5±42.0 °C(Predicted)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- pka
- 11.69 · 11.69±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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