Basic information
- Standard SMILES
CC(C)CC(C)OB(OC(C)CC(C)C)OC(C)CC(C)C- InChIKey
ARFPYOUWHGVCEE-UHFFFAOYSA-N- Molecular formula
- C18H39BO3
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.29922551
Names & identifiers
- Preferred name
- 2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)
- IUPAC
- tris(4-methylpentan-2-yl) borate
- English name
- Boric acid tris(1,3-dimethylbutyl) ester
- Molecular formula
- C18H39BO3
- Molecular weight
- 314.31
Names & synonyms
5337-37-12-Pentanol, 4-methyl-, triester with boric acid (H3BO3)RefChem:1064078tris(4-methylpentan-2-yl) borate(Methylisobutylcarbinyl) borate, tri-BORIC ACID, TRIS(4-METHYL-2-PENTYL) ESTERTri(methylisobutylcarbinyl)borateNSC 782BRN 17253042-Pentanol, 4-methyl-, triester with boric acid4-01-00-01720 (Beilstein Handbook Reference)SCHEMBL716820
Show more names
Boric acid tris(1,3-dimethylbutyl) ester2-Pentanol, 4-methyl-, triester with boric acid (H3BO3) (6CI,8CI,9CI)
NSC782Tri(4-methyl-2-pentyl) BorateDTXSID70968007NSC-782ARFPYOUWHGVCEE-UHFFFAOYSA-N2-Pentanol, triester with boric acid
Database identifiers
- CAS
5337-37-1- PubChem CID
- 21424
- DTXSID
DTXSID70968007- Nikkaji
- J42.788H
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 226
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
3 records
Linked notes
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