chempirical

(S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane

C13H18O3CAS 16495-03-7222.28 g/mol

Open in Covalent MOL file
OOO
AcetalEther

Properties

Molecular formula
C13H18O3
Molar mass
222.28 g/mol
Exact mass
222.1256 Da
logP
2.35Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
16495-03-7
SMILES
CC1(OC[C@@H](O1)COCC2=CC=CC=C2)C
InChIKey
DBFDSKSLTCMIPB-LBPRGKRZSA-N
InChI
InChI=1S/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1

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Work with (S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane

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

Benzyl (-)-glycidyl ether14618-80-556 % similar (+)-Benzyl glycidyl ether16495-13-956 % similar Benzyl glycidyl ether2930-05-456 % similar 1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-α-D-glucofuranose53928-30-649 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-248 % similar (-)-1,4-Di-O-benzyl-L-threitol17401-06-847 % similar 1,3-Bis(phenylmethoxy)-2-propanol6972-79-847 % similar Dibenzyl ether103-50-445 % similar

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

Same formula

Hexyl 4-hydroxybenzoate1083-27-8 4-(Hexyloxy)benzoic acid1142-39-8 1,1-Diethoxy-3-phenyl-2-propanone19256-31-6 3-Hydroxy-1-adamantyl acrylate216581-76-9 3,5-Diisopropylsalicylic acid2215-21-6 Hexyl salicylate6259-76-3

Elsewhere

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