3,5-Octadiyne-2,7-diol
Basic information
- CAS
14400-73-8- Standard SMILES
CC(O)C#CC#CC(C)O- InChIKey
SGGKZYNWSYKYTM-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Names & identifiers
- Preferred name
- 3,5-Octadiyne-2,7-diol
- IUPAC
- octa-3,5-diyne-2,7-diol
Names & synonyms
3,5-octadiyne-2,7-diolDTXSID30305939RefChem:272040DTXCID1025706814400-73-8octa-3,5-diyne-2,7-diolNSC172807SCHEMBL11823906NSC-172807DS-013964
Database identifiers
- CAS
14400-73-8- PubChem CID
- 299571
- DTXSID
DTXSID30305939- Nikkaji
- J803.462A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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