2,3,6,7-Tetramethyloct-4-yne-3,6-diol
Basic information
- CAS
92037-77-9- Standard SMILES
CC(C)C(C)(O)C#CC(C)(O)C(C)C- InChIKey
CTTGTRXRTUKVEB-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 2,3,6,7-Tetramethyloct-4-yne-3,6-diol
- IUPAC
- 2,3,6,7-tetramethyloct-4-yne-3,6-diol
Names & synonyms
92037-77-92,3,6,7-tetramethyloct-4-yne-3,6-diolNSC14261SCHEMBL394228DTXSID60279831CTTGTRXRTUKVEB-UHFFFAOYSA-NNSC-14261
Database identifiers
- CAS
92037-77-9- PubChem CID
- 225152
- DTXSID
DTXSID60279831- Nikkaji
- J803.437K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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