chempirical

Hcm-006

C50H46O20CAS 223572-88-1966.90 g/mol

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AlkeneCarbonateEsterEther

Properties

Molecular formula
C50H46O20
Molar mass
966.90 g/mol
Exact mass
966.2582 Da
logP
6.72Crippen estimate
Polar surface area
247.3 Ų
H-bond donors / acceptors
0 / 20
Rotatable bonds
22

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
223572-88-1
SMILES
C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3COC4C3OCC4OC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)OC(=O)OCCCCOC(=O)C=C
InChIKey
CSNCPNFITVRIBQ-UHFFFAOYSA-N
InChI
InChI=1S/C50H46O20/c1-3-41(51)59-25-5-7-27-61-49(57)67-37-21-13-31(14-22-37)45(53)65-35-17-9-33(10-18-35)47(55)69-39-29-63-44-40(30-64-43(39)44)70-48(56)34-11-19-36(20-12-34)66-46(54)32-15-23-38(24-16-32)68-50(58)62-28-8-6-26-60-42(52)4-2/h3-4,9-24,39-40,43-44H,1-2,5-8,25-30H2

Weigh it out

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

Names and synonyms

1 names
  • [6-[4-[4-(4-Prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoate

Work with Hcm-006

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

1,1′-(2-Methyl-1,4-phenylene) bis[4-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]benzoate]187585-64-463 % similar 4-[4-[(1-Oxo-2-propenyl)oxy]butoxy]benzoic acid [1,1'-biphenyl]-4-yl ester245760-39-856 % similar 4-Methoxyphenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate82200-53-156 % similar 4-Cyanophenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate83847-14-753 % similar 2,2′-[2-(Methoxycarbonyl)-1,4-phenylene] bis[6-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]-2-naphthalenecarboxylate]914918-26-652 % similar 1,1′-(2-Methyl-1,4-phenylene) bis[4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate]125248-71-749 % similar 2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)benzoate)174063-87-748 % similar 4-(4-Acryloxy-butyl-1-oxy)-benzoic acid69260-42-044 % similar

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

Elsewhere

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