S5011

C₃₂H₃₄O₂CAS 693227-30-4450.62 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₃₂H₃₄O₂
Molar mass: 450.62 g/mol
Exact mass: 450.2559 Da
logP: 8.65Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

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

Precautionary statements

P273, P501

Identifiers

CAS number

693227-30-4

SMILES

CCCC1CCC(CC1)C2COC3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)OC2

InChIKey

PEDJXJZUJMTWBB-UHFFFAOYSA-N

InChI

InChI=1S/C32H34O2/c1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26/h3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3

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Work with S5011

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(13bR)-5,6-Dihydro-5-(trans-4-propylcyclohexyl)-4H-dinaphtho[2,1-f:1′,2′-h][1,5]dioxonin944537-61-5

Similar compounds

(R)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthalene173831-50-048 % similar 2,2′-[[1,1′-Binaphthalene]-2,2′-diylbis(oxy)]bis[ethanol]55441-95-744 % similar 2,2'-Dimethoxy-1,1'-binaphthyl35294-28-143 % similar (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene75640-87-843 % similar (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthyl75685-01-743 % similar 1-Ethoxy-2,3-difluoro-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene123560-48-541 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-738 % similar 1-Fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene82832-27-737 % similar

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

Elsewhere

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