diethyl 2-butyl-2-methylpropanedioate

CAS: 55114-29-9

Molecular Formula	`C12H22O4`
Molecular Weight	230.3 g/mol
LogP	3.2
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	230.15181
Heavy Atoms	16
Complexity	217.0

Chemical Identifiers

CAS Number	55114-29-9
SMILES	`CCCCC(C)(C(=O)OCC)C(=O)OCC`
InChIKey	`VRSFJMZKROGYJJ-UHFFFAOYSA-N`

📖 Product Overview

diethyl 2-butyl-2-methylpropanedioate (CAS: 55114-29-9) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.3 g/mol. Its IUPAC systematic name is diethyl 2-butyl-2-methylpropanedioate. LogP 3.2 Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 230.15181 Heavy Atoms 16 Complexity 217.0 InChI Key: VRSFJMZKROGYJJ-UHFFFAOYSA-N. SMILES: CCCCC(C)(C(=O)OCC)C(=O)OCC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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