Basic information
- CAS
2044-37-3- Standard SMILES
CCC(O)(C#CC(O)(CC)CC)CC- InChIKey
FADIFRKKGSXQIQ-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 3,6-Diethyloct-4-yne-3,6-diol
- IUPAC
- 3,6-diethyloct-4-yne-3,6-diol
Names & synonyms
3,6-Diethyloct-4-yne-3,6-diol2044-37-3SCHEMBL395580DTXSID70174388AKOS006272921
Database identifiers
- CAS
2044-37-3- PubChem CID
- 137296
- DTXSID
DTXSID70174388- Nikkaji
- J803.436B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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