Methyl 8,11-octadecadiynoate
Basic information
- CAS
18202-23-8- Standard SMILES
CCCCCCC#CCC#CCCCCCCC(=O)OC- InChIKey
PTNIMRRTTQLUQW-UHFFFAOYSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Names & identifiers
- Preferred name
- Methyl 8,11-octadecadiynoate
- IUPAC
- methyl octadeca-8,11-diynoate
- English name
- 8,11-Octadecadiynoic acid methyl ester
- Molecular formula
- C19H30O2
- Molecular weight
- 290.44
Names & synonyms
Methyl 8,11-octadecadiynoate18202-23-88,11-Octadecadiynoic acid, methyl esterDTXSID90337039RefChem:356429DTXCID80288127PTNIMRRTTQLUQW-UHFFFAOYSA-Nmethyl octadeca-8,11-diynoate8,11-Octadecadiynoic acid methyl esterMethyl 8,11-octadecadiynoate #
Database identifiers
- CAS
18202-23-8- PubChem CID
- 538020
- DTXSID
DTXSID90337039- Nikkaji
- J110.872G
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 386.2 · 386.2±27.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…