Basic information
- CAS
57156-91-9- Standard SMILES
CCCCCCCCCCCCC#CCC#CC(=O)OC- InChIKey
XQDLQQYTXOVDQQ-UHFFFAOYSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Names & identifiers
- Preferred name
- Methyl 2,5-octadecadiynoate
- IUPAC
- methyl octadeca-2,5-diynoate
- English name
- 2,5-Octadecadiynoic acid methyl ester
- Molecular formula
- C19H30O2
- Molecular weight
- 290.44
Names & synonyms
Methyl 2,5-octadecadiynoate57156-91-92,5-OCTADECADIYNOIC ACID, METHYL ESTERDTXSID60205791RefChem:353690DTXCID90128282XQDLQQYTXOVDQQ-UHFFFAOYSA-Nmethyl octadeca-2,5-diynoatemethyl-2,5-octadecadiynoateMethyl 2,5-octadecadiynoate #SCHEMBL216297192,5-Octadecadiynoicacid methyl ester
Show more names
2,5-Octadecadiynoic acid methyl ester
DB-226869
Database identifiers
- CAS
57156-91-9- PubChem CID
- 42151
- DTXSID
DTXSID60205791- Nikkaji
- J110.851D
Properties
Computed structural properties
- XLogP
- 7.6
- 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
- 402.3 · 402.3±28.0 °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
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