Basic information
- CAS
5456-06-4- Standard SMILES
CC(C)(C)COB(OCC(C)(C)C)OCC(C)(C)C- InChIKey
CTMRSRYEXZZLLP-UHFFFAOYSA-N- Molecular formula
- C15H33BO3
- Average molar mass
- 272.2 g/mol
- Monoisotopic mass
- 272.2522751
Names & identifiers
- Preferred name
- Trineopentyl orthoborate
- IUPAC
- tris(2,2-dimethylpropyl) borate
- English name
- Boric acid tris(2,2-dimethylpropyl) ester
- Molecular formula
- C15H33BO3
- Molecular weight
- 272.23
Names & synonyms
Trineopentyl orthoborate5456-06-4NSC-7433tris(2,2-dimethylpropyl) borateNSC7433B87DY32KJ9Neopentyl borate (C5H11O)3BDTXSID00202981CTMRSRYEXZZLLP-UHFFFAOYSA-NNSC 7433EINECS 226-712-3NS00043475
Show more names
Boric acid trineopentyl esterBoric acid tris(2,2-dimethylpropyl) ester1-Propanol, 2,2-dimethyl-, triester with boric acid (H3BO3) (8CI,9CI)
1-Propanol, 2,2-dimethyl-, triester with boric acid (H3BO3)
Database identifiers
- CAS
5456-06-4- PubChem CID
- 79559
- DTXSID
DTXSID00202981- UNII
- B87DY32KJ9
- EC Number
- 226-712-3
- Nikkaji
- J210.510A
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- FDA UNII
- 87 DY32KJ9 · B87DY32KJ9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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