Methyl 3,6-octadecadiynoate
Basic information
- CAS
56554-43-9- Standard SMILES
CCCCCCCCCCCC#CCC#CCC(=O)OC- InChIKey
DEEGKBFXEYTHPK-UHFFFAOYSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Names & identifiers
- Preferred name
- Methyl 3,6-octadecadiynoate
- IUPAC
- methyl octadeca-3,6-diynoate
- English name
- Methyl 3,6-octadecadiynoate
- Molecular formula
- C19H30O2
- Molecular weight
- 290.44
Names & synonyms
Methyl 3,6-octadecadiynoate56554-43-93,6-Octadecadiynoic acid, methyl esterDTXSID00336775RefChem:354586DTXCID90287863DEEGKBFXEYTHPK-UHFFFAOYSA-Nmethyl octadeca-3,6-diynoateMethyl 3,6-octadecadiynoate #DB-2552153,6-Octadecadiynoic acid methyl ester
Database identifiers
- CAS
56554-43-9- PubChem CID
- 536196
- DTXSID
DTXSID00336775- Nikkaji
- J110.846H
Properties
Computed structural properties
- XLogP
- 6.8
- 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
- 396.6 · 396.6±27.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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