Mono-tert-butyl succinate

C₈H₁₄O₄CAS 15026-17-2174.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₈H₁₄O₄
Molar mass: 174.20 g/mol
Exact mass: 174.0892 Da
logP: 1.19Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15026-17-2

SMILES

CC(C)(C)OC(=O)CCC(=O)O

InChIKey

PCOCFIOYWNCGBM-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

4-(tert-Butoxy)-4-oxobutanoic acid

Work with Mono-tert-butyl succinate

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

20-(tert-Butoxy)-20-oxoicosanoic acid683239-16-977 % similar 18-(tert-Butoxy)-18-oxooctadecanoic acid843666-40-077 % similar 15-(tert-Butoxy)-15-oxopentadecanoic acid905302-42-377 % similar 3-(tert-Butoxy)-3-oxopropanoic acid40052-13-969 % similar Succinic acid peroxide123-23-957 % similar Tri-tert-butyl 1 4 7 10-tetraazacyclodod137076-54-157 % similar Monomethyl succinate3878-55-557 % similar tert-Butyl 4-hydroxybutanoate59854-12-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Diacetoxybutane1114-92-7 1,3-Butylene glycol diacetate1117-31-3 (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-3 Diethyl succinate123-25-1 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Dimethyl 3-methylglutarate19013-37-7 Glycol diglycidyl ether2224-15-9 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-8

Elsewhere

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