2-Pentanol, 4-methyl-, triester with boric acid (H3BO3)

HCID 21424CAS 5337-37-1

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

Chemistry & industry

Suppliers1 total

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Related reactions

3 records

Linked notes

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