chempirical

2H-Cyclopenta[B]furan-2-one, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-[3-[[(1,1-dimethylethyl)dimethyl silyl]oxy]-5-methyl-1-nonenyl]hexahydro-, [3aa,4A(1E,3S*,5S*),5B,6aa]-

C29H56O4Si2CAS 149585-88-6524.93 g/mol

Open in Covalent MOL file
OOOSiOSi
AlkeneEsterLactoneSilyl ether

Properties

Molecular formula
C29H56O4Si2
Molar mass
524.93 g/mol
Exact mass
524.3717 Da
logP
8.49Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

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
149585-88-6
SMILES
CCCCC(C)CC(C=CC1C(CC2C1CC(=O)O2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIKey
FNKWBXQWAOGUTD-UHFFFAOYSA-N
InChI
InChI=1S/C29H56O4Si2/c1-13-14-15-21(2)18-22(32-34(9,10)28(3,4)5)16-17-23-24-19-27(30)31-25(24)20-26(23)33-35(11,12)29(6,7)8/h16-17,21-26H,13-15,18-20H2,1-12H3

Weigh it out

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

Work with 2H-Cyclopenta[B]furan-2-one, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-[3-[[(1,1-dimethylethyl)dimethyl silyl]oxy]-5-methyl-1-nonenyl]hexahydro-, [3aa,4A(1E,3S*,5S*),5B,6aa]-

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

Corey pg-lactone diol39182-59-743 % similar (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2H-cyclopenta[b]furan-2-one40834-88-640 % similar 2H-Cyclopenta[B]furan-2-one, 5-(benzoyloxy)hexahydro-4-(3-hydroxy-3-methyl-1-octenyl)-, [3ar-[3aa,4A(1E,3S*),5B,6aa]]-54142-12-039 % similar (3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one50889-48-037 % similar cis-3-Methyl-4-octanolide39212-23-236 % similar 4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]dihydro-2H-pyran-2,6(3H)-dione91424-40-734 % similar Hydride-L41639-74-134 % similar (3aR,4R,5R,6aS)-4-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one53906-54-030 % similar

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

Elsewhere

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