Basic information
- CAS
42149-31-5- Standard SMILES
CC1(C#CC2(C)CO2)CO1- InChIKey
DECROJFJFVMMIP-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne
- IUPAC
- 2-methyl-2-[2-(2-methyloxiran-2-yl)ethynyl]oxirane
- English name
- 2,5-Dimethyl-1,2,5,6-diepoxyhex-3-yne
- Molecular weight
- 0
Names & synonyms
42149-31-52,5-Dimethyl-1,2,5,6-diepoxyhex-3-yneBRN 00812663-HEXYNE, 1,2:5,6-DIEPOXY-2,5-DIMETHYL-5-19-01-00369 (Beilstein Handbook Reference)DTXSID00962311AKOS0062768181,2:5,6-dianhydro-3,4-dideoxy-2,5-dimethylhex-3-ynitol1,2:5,6-Diepoxy-2,5-dimethyl-3-hexyne
Database identifiers
- CAS
42149-31-5- PubChem CID
- 39144
- DTXSID
DTXSID00962311- Nikkaji
- J59.833J
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 193.57 °C · 193.57°C (rough estimate)
- Density
- 1.034 · 1.0340 (rough estimate)
- refractive index
- 1.4698 · 1.4698 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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