Tris(3-methylbutyl) propane-1,2,3-tricarboxylate

HCID 220127

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5333-56-2
Standard SMILES: CC(C)CCOC(=O)CC(CC(=O)OCCC(C)C)C(=O)OCCC(C)C
InChIKey: DOBFTVAUMSOXKO-UHFFFAOYSA-N
Molecular formula: C21H38O6
Average molar mass: 386.5 g/mol
Monoisotopic mass: 386.26683893

Names & identifiers

Preferred name: Tris(3-methylbutyl) propane-1,2,3-tricarboxylate
IUPAC: tris(3-methylbutyl) propane-1,2,3-tricarboxylate

Names & synonyms

tris(3-methylbutyl) propane-1,2,3-tricarboxylate5333-56-2DTXSID70277464RefChem:386647DTXCID60228622NSC2421NSC-24211,2,3-propane-tricarboxylic acid triisopentyl ester1,3-PROPANETRICARBOXYLIC ACID, TRIS(3-METHYLBUTYL) ESTER

Database identifiers

CAS: 5333-56-2
PubChem CID: 220127
DTXSID: DTXSID70277464

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 17
Heavy atoms: 27
Formal charge: 0
Complexity: 414

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…