Basic information
- CAS
39692-46-1- Standard SMILES
CCCCCC=CC=COC=CCCCCCCC(=O)OC- InChIKey
BLNDDYNVUIBQFL-UHFFFAOYSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Overview
9-(1,3-Nonadienyloxy)-8-nonenoic acid methyl ester has been reported in Solanum tuberosum with data available.
Names & identifiers
- Preferred name
- 9-(1,3-Nonadienyloxy)-8-nonenoic acid methyl ester
- IUPAC
- methyl 9-nona-1,3-dienoxynon-8-enoate
- English name
- 9-(1,3-Nonadienyloxy)-8-nonenoic acid methyl ester
- Molecular formula
- C19H32O3
- Molecular weight
- 308.46
Names & synonyms
DTXSID801016329Methyl 9-[(nona-1,3-dien-1-yl)oxy]non-8-enoate9-(1,3-Nonadienyloxy)-8-nonenoic acid methyl ester
Database identifiers
- CAS
39692-46-1- PubChem CID
- 549236
- DTXSID
DTXSID801016329
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 401.899 · 401.899±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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