Basic information
- CAS
61886-64-4- Standard SMILES
CCC#CCCCCCCCCCCCCCC- InChIKey
UQMLWEGZEBCVLH-UHFFFAOYSA-N- Molecular formula
- C18H34
- Average molar mass
- 250.5 g/mol
- Monoisotopic mass
- 250.26605109
Names & identifiers
- Preferred name
- 3-Octadecyne
- IUPAC
- octadec-3-yne
- English name
- 3-Octadecyne
- Molecular formula
- C18H34
- Molecular weight
- 250.46
Names & synonyms
3-Octadecyneoctadec-3-yneSCHEMBL313546SCHEMBL5167000SCHEMBL5984132SCHEMBL6468299UQMLWEGZEBCVLH-UHFFFAOYSA-NDTXSID50135122161886-64-4
Database identifiers
- CAS
61886-64-4- PubChem CID
- 548889
- DTXSID
DTXSID501351221- Nikkaji
- J133.018G
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 2.4 °C · 2.4°C
- Boiling point
- 313.6 °C · 313.6°C (estimate)
- Density
- 0.7954 · 0.7954 (estimate)
- refractive index
- 1.4448 · 1.4448
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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