Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate

C₁₉H₃₀O₃CAS 149105-26-0306.45 g/mol

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Properties

Molecular formula: C₁₉H₃₀O₃
Molar mass: 306.45 g/mol
Exact mass: 306.2195 Da
logP: 4.69Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Identifiers

CAS number

149105-26-0

SMILES

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OCC(C)C

InChIKey

REPYTKNMHNVOPH-UHFFFAOYSA-N

InChI

InChI=1S/C19H30O3/c1-14(2)13-22-18(20)19(5,6)10-7-11-21-17-12-15(3)8-9-16(17)4/h8-9,12,14H,7,10-11,13H2,1-6H3

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Names and synonyms

1 names

2-Methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

Work with Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate

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

Gemfibrozil25812-30-063 % similar 2-Methylpropyl 5-chloro-2,2-dimethylpentanoate109232-37-349 % similar 2-(2,5-Dimethylphenoxy)acetic acid7356-41-441 % similar 2-Methoxy-1,4-dimethylbenzene1706-11-233 % similar Ethyl-2,2-dimethyl-7-bromoheptanoate123469-92-132 % similar Calone28940-11-632 % similar 2-(2,4-Dimethylphenoxy)acetic acid13334-49-132 % similar Diisobutyl phthalate84-69-530 % similar

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

Same formula

4-(Dodecyloxy)benzoic acid2312-15-4 Dodecyl 4-hydroxybenzoate2664-60-0 17β-Hydroxy-17-methyl-2-oxa-5α-androstan-3-one53-39-4

Elsewhere

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