2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
Basic information
- CAS
727708-56-7- Standard SMILES
CCB1OB(C)OB(C)O1- InChIKey
PHXGHSIICKBICE-UHFFFAOYSA-N- Molecular formula
- C4H11B3O3
- Average molar mass
- 139.6 g/mol
- Monoisotopic mass
- 140.0987347
Names & identifiers
- Preferred name
- 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
- IUPAC
- 2-ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
- English name
- Boroxin, ethyldimethyl- (9CI)
- Molecular formula
- C4H11B3O3
- Molecular weight
- 139.56
Names & synonyms
2-ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane727708-56-7Boroxin, ethyldimethyl-SCHEMBL65369792-Ethyl-4,6-dimethylboroxin #DTXSID80341569PHXGHSIICKBICE-UHFFFAOYSA-NAG-G-86755Boroxin, 2-ethyl-4,6-dimethyl-Boroxin, ethyldimethyl- (9CI)
Database identifiers
- CAS
727708-56-7- PubChem CID
- 574071
- DTXSID
DTXSID80341569
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 97.7 · 97.7±9.0 °C(Predicted)
- Density
- 0.86 · 0.86±0.1 g/cm3(Predicted)
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Compound notes
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