Basic information
- CAS
71899-38-2- Standard SMILES
CCCCCCCCC#CCCCCCCCCCC- InChIKey
ARULVMGJDAAVBD-UHFFFAOYSA-N- Molecular formula
- C20H38
- Average molar mass
- 278.5 g/mol
- Monoisotopic mass
- 278.29735121
Overview
9-eicosyne has been reported in Basella alba and Oryza sativa with data available.
Names & identifiers
- Preferred name
- 9-Eicosyne
- IUPAC
- icos-9-yne
- English name
- 9-Eicosyne
- Molecular formula
- C20H38
- Molecular weight
- 278.52
Names & synonyms
9-Eicosyneicos-9-yne71899-38-2DTXSID40339568RefChem:1074967DTXCID802906499-Icosyne9-Icosyne #SCHEMBL5985637SCHEMBL7705498SCHEMBL28437823ARULVMGJDAAVBD-UHFFFAOYSA-N
Show more names
NS00096046
Database identifiers
- CAS
71899-38-2- PubChem CID
- 557019
- DTXSID
DTXSID40339568- Nikkaji
- J133.021G
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 36.01 °C · 36.01°C (estimate)
- Boiling point
- 341.33 °C · 341.33°C (estimate)
- Density
- 0.7968 · 0.7968 (estimate)
- refractive index
- 1.4506 · 1.4506 (estimate)
- LogP
- 9.962 · 9.962 (est)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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