3-Eicosyne
Basic information
- CAS
61886-66-6- Standard SMILES
CCC#CCCCCCCCCCCCCCCCC- InChIKey
AQBXRWJMJJJCLI-UHFFFAOYSA-N- Molecular formula
- C20H38
- Average molar mass
- 278.5 g/mol
- Monoisotopic mass
- 278.29735121
Overview
3-Eicosyne is a terminal acetylenic compound.
Names & identifiers
- Preferred name
- 3-Eicosyne
- IUPAC
- icos-3-yne
- English name
- 3-Icosyne
- Molecular formula
- C20H38
- Molecular weight
- 278.52
Names & synonyms
3-Eicosyne61886-66-6RefChem:93740AQBXRWJMJJJCLI-UHFFFAOYSA-Nicos-3-yne3-Icosyne3-Icosyne #SCHEMBL161365SCHEMBL5984802CHEBI:231234DTXSID101318469MFCD32206138
Show more names
AKOS037645017AS-56154G89994Q67879590
Database identifiers
- CAS
61886-66-6- PubChem CID
- 549159
- DTXSID
DTXSID101318469- ChEBI
CHEBI:231234- Nikkaji
- J133.031D
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
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
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
- 1.4494 · 1.4494 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
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Related reactions
0 records
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Compound notes
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