Triisopentyl citrate

tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate

CAS: 1793-10-8

Molecular Formula	`C21H38O7`
Molecular Weight	402.5 g/mol
LogP	4.0
Topological Polar Surface Area	99.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	17
Exact Mass	402.26175
Heavy Atoms	28
Complexity	455.0

Chemical Identifiers

CAS Number	1793-10-8
SMILES	`CC(C)CCOC(=O)CC(CC(=O)OCCC(C)C)(C(=O)OCCC(C)C)O`
InChIKey	`ZGJMYWFCNCIEFN-UHFFFAOYSA-N`

📖 Product Overview

Triisopentyl citrate (CAS: 1793-10-8) is a chemical compound with molecular formula C21H38O7 and molecular weight 402.5 g/mol. Its IUPAC systematic name is tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate. LogP 4.0 Topological Polar Surface Area 99.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 17 Exact Mass 402.26175 Heavy Atoms 28 Complexity 455.0 InChI Key: ZGJMYWFCNCIEFN-UHFFFAOYSA-N. SMILES: CC(C)CCOC(=O)CC(CC(=O)OCCC(C)C)(C(=O)OCCC(C)C)O.

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