3-(2,2-Dimethyl-3-(prop-2-yn-1-yloxy)propoxy)prop-1-yne
Basic information
- CAS
1428736-76-8- Standard SMILES
C#CCOCC(C)(C)COCC#C- InChIKey
NJBJGXQVJOJPJJ-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 3-(2,2-Dimethyl-3-(prop-2-yn-1-yloxy)propoxy)prop-1-yne
- IUPAC
- 2,2-dimethyl-1,3-bis(prop-2-ynoxy)propane
- English name
- 1-Propyne, 3,3'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis-
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
3-(2,2-Dimethyl-3-(prop-2-yn-1-yloxy)propoxy)prop-1-yne1428736-76-83-[2,2-dimethyl-3-(prop-2-yn-1-yloxy)propoxy]prop-1-yneSCHEMBL8848780CS-01702661-Propyne, 3,3'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis-
Database identifiers
- CAS
1428736-76-8- PubChem CID
- 88374772
- Nikkaji
- J3.161.509G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 233.2 · 233.2±25.0 °C(Predicted)
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
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Compound notes
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