2-(9,9-Dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C35H53BO2CAS 302554-81-0516.62 g/mol

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BOO
Boronic ester

Properties

Molecular formula
C35H53BO2
Molar mass
516.62 g/mol
Exact mass
516.4139 Da
logP
9.75Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
302554-81-0
SMILES
CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIKey
VOASJDUTCQKQLE-UHFFFAOYSA-N
InChI
InChI=1S/C35H53BO2/c1-7-9-11-13-15-19-25-35(26-20-16-14-12-10-8-2)31-22-18-17-21-29(31)30-24-23-28(27-32(30)35)36-37-33(3,4)34(5,6)38-36/h17-18,21-24,27H,7-16,19-20,25-26H2,1-6H3

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Names and synonyms

6 names
  • 1,3,2-Dioxaborolane, 2-(9,9-dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-
  • 2-(9,9-Dioctylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene
  • (9,9-Dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • (9,9-Dioctyl-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 9,9-Dioctyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluorene

Work with 2-(9,9-Dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

(2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene)196207-58-688 % similar 9,9-Dihexyl-9H-fluoren-2-boronic acid371193-08-767 % similar 9,9-Spirodifluorene-2-boronic acid pinacol ester884336-44-160 % similar 2-(9,9-Dimethyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane569343-09-558 % similar 2-Bromo-9,9-dihexyl fluorene226070-05-958 % similar 2-Bromo-9,9-di-n-octylfluorene302554-80-958 % similar 9,9-Diphenylfluorene-2-boronic acid pinacol ester462128-39-855 % similar 2-(9,9'-Spirobi[fluoren]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1346007-05-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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