Dipropylmalonic acid

C₉H₁₆O₄CAS 1636-27-7188.22 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₉H₁₆O₄
Molar mass: 188.22 g/mol
Exact mass: 188.1049 Da
Melting point: 159 °C
logP: 1.74Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 6

Identifiers

CAS number

1636-27-7

SMILES

CCCC(CCC)(C(=O)O)C(=O)O

InChIKey

DIRSQLKNZQKDBK-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O4/c1-3-5-9(6-4-2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Propanedioic acid, 2,2-dipropyl-
Malonic acid, dipropyl-
Propanedioic acid, dipropyl-
2,2-Dipropylpropanedioic acid
4,4-Heptanedicarboxylic acid
NSC 62680
2,2′-Dipropylmalonic acid
2,2-Di-n-propylmalonic acid
2,2-Dipropylmalonic acid

Work with Dipropylmalonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Cyclopropanedicarboxylic acid598-10-767 % similar 2,2-Dimethylpentanoic acid1185-39-362 % similar 2,2-Diethylpropanedioic acid510-20-358 % similar 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-647 % similar 1-Methylcyclopropanecarboxylic acid6914-76-746 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-043 % similar 2,2-Dimethylbutanoic acid595-37-943 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Azelaic acid123-99-9 Diisopropyl malonate13195-64-7 1,3-Diethyl 2-ethylpropanedioate133-13-1 Dimethyl pimelate1732-08-7 Dimethyl diethylmalonate27132-23-6 Ethyl 3,3-diethoxy-2-propenoate32002-24-7 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-3 1-Ethyl heptanedioate33018-91-6

Elsewhere

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