chempirical

Dibenzo-30-crown-10

C28H40O10CAS 17455-25-3536.62 g/mol

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Ether

Properties

Molecular formula
C28H40O10
Molar mass
536.62 g/mol
Exact mass
536.2621 Da
logP
3.02Crippen estimate
Polar surface area
92.3 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
0

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
17455-25-3
SMILES
C1COCCOC2=CC=CC=C2OCCOCCOCCOCCOC3=CC=CC=C3OCCOCCO1
InChIKey
MXCSCGGRLMRZMF-UHFFFAOYSA-N
InChI
InChI=1S/C28H40O10/c1-2-6-26-25(5-1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-7-3-4-8-28(27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2

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Work with Dibenzo-30-crown-10

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

Benzo-18-crown-614098-24-9100 % similar Benzo-15-crown-514098-44-3100 % similar Benzo-12-crown-414174-08-4100 % similar Dibenzo-24-crown-814174-09-5100 % similar Dibenzo-18-crown-614187-32-7100 % similar Benzodioxan493-09-482 % similar 1,3-Benzodioxole274-09-955 % similar 1,2-Diethoxybenzene2050-46-655 % similar

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

Elsewhere

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