chempirical

(E)-1-Ethoxyethene-2-ylboronic acid pinacol ester

C10H19BO3CAS 1201905-61-4198.07 g/mol

Open in Covalent MOL file
BOOO
AlkeneBoronic esterEther

Properties

Molecular formula
C10H19BO3
Molar mass
198.07 g/mol
Exact mass
198.1427 Da
logP
2.17Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
1201905-61-4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/OCC
InChIKey
MRAYNLYCQPAZJN-BQYQJAHWSA-N
InChI
InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3/b8-7+

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Names and synonyms

1 names
  • 1-Ethoxyethene-2-boronic acid pinacol ester

Work with (E)-1-Ethoxyethene-2-ylboronic acid pinacol ester

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

Ethyl 1-propenyl ether928-55-239 % similar (1Z)-1-Bromo-2-ethoxyethene23521-49-537 % similar 1,3,2-Dioxaborolane, 2,2′-[(1Z)-1-pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-307531-74-434 % similar 3-Ethoxy-2-propenenitrile61310-53-033 % similar Bis(pinacolato)diboron73183-34-333 % similar (3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one59938-06-632 % similar Ethyl 3-ethoxy-2-propenoate1001-26-931 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-931 % similar

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

Elsewhere

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