8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene

C₁₄H₂₃BO₄CAS 680596-79-6266.14 g/mol

Open in Covalent MOL file

Acetal Alkene Boronic ester Ether

Properties

Molecular formula: C₁₄H₂₃BO₄
Molar mass: 266.14 g/mol
Exact mass: 266.1689 Da
logP: 2.47Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

680596-79-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC2)OCCO3

InChIKey

JCHWHOHZZYWUMP-UHFFFAOYSA-N

InChI

InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5H,6-10H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

1,4-Dioxa-spiro[4,5]dec-7-en-8-boronic acid, pinacol ester

Work with 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene

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

2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1227068-84-961 % similar 3,6-Dihydro-2H-pyran-4-boronic acid pinacol ester287944-16-553 % similar 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane141091-37-450 % similar 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester454482-11-245 % similar 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-538 % similar N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester286961-14-638 % similar 1,3,2-Dioxaborolane, 2,2′-[(1Z)-1-pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-307531-74-438 % similar 4-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester1049004-32-137 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook