Basic information
- CAS
6339-21-5- Standard SMILES
CC(C)C(O)C#CC(O)C(C)C- InChIKey
FHOQZOTZSZDBES-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 2,7-Dimethyloct-4-yne-3,6-diol
- IUPAC
- 2,7-dimethyloct-4-yne-3,6-diol
Names & synonyms
2,7-dimethyloct-4-yne-3,6-diol6339-21-5DTXSID00279830RefChem:248813DTXCID80230984NSC142582,7-Dimethyl-4-octyne-3,6-diolSCHEMBL10792702NSC-14258
Database identifiers
- CAS
6339-21-5- PubChem CID
- 225151
- DTXSID
DTXSID00279830- Nikkaji
- J803.425G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
SpringerMaterials PropertiesKuhn length
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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