Basic information
- CAS
49852-40-6- Standard SMILES
C1#CCCC#CCC1- InChIKey
URBAEOVIKFSRNB-UHFFFAOYSA-N- Molecular formula
- C8H8
- Average molar mass
- 104.15 g/mol
- Monoisotopic mass
- 104.06260026
Names & identifiers
- Preferred name
- 1,5-Cyclooctadiyne
- IUPAC
- cycloocta-1,5-diyne
- English name
- Cycloocta-1,5-diyne
- Molecular formula
- C8H8
- Molecular weight
- 104.15
Names & synonyms
1,5-Cyclooctadiynecycloocta-1,5-diyne49852-40-6DTXSID70198125RefChem:73445DTXCID00120616InChI=1/C8H8/c1-2-4-6-8-7-5-3-1/h1-2,7-8HSCHEMBL22366925
Database identifiers
- CAS
49852-40-6- PubChem CID
- 14752
- DTXSID
DTXSID70198125- Nikkaji
- J89.538E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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