(Trans,trans)-4-Ethenyl-4'-propyl-1,1'-bicyclohexyl

C₁₇H₃₀CAS 477557-80-5234.43 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₃₀
Molar mass: 234.43 g/mol
Exact mass: 234.2348 Da
logP: 5.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Danger

H315 Causes skin irritation90% of notifiers
H360 May damage fertility or the unborn child10% of notifiers
H360D May damage the unborn child80% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P280, P302+P352, P318, P321, P332+P317, P362+P364, P405, P501

Identifiers

CAS number

477557-80-5

SMILES

CCCC1CCC(CC1)C2CCC(CC2)C=C

InChIKey

KHDBEDDPFRHGCN-UHFFFAOYSA-N

InChI

InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h4,14-17H,2-3,5-13H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-Ethenyl-4'-propyl-1,1'-bicyclohexyl

Work with (Trans,trans)-4-Ethenyl-4'-propyl-1,1'-bicyclohexyl

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.

(Trans,trans)-4-Ethenyl-4′-propyl-1,1′-bicyclohexyl116020-44-1Defined stereoisomer

Similar compounds

(Trans,trans)-4-Butyl-4′-ethenyl-1,1′-bicyclohexyl153429-47-179 % similar (Trans,trans)-4-Ethenyl-4′-pentyl-1,1′-bicyclohexyl129738-34-776 % similar (Trans,trans)-4-(1E)-1-Propen-1-yl-4′-propyl-1,1′-bicyclohexyl279246-65-060 % similar (Trans,trans)-4-Ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-854 % similar (Trans,trans)-4-Butyl-4′-propyl-1,1′-bicyclohexyl96624-52-154 % similar (Trans,trans)-4-Pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-752 % similar (Trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol82562-85-450 % similar (Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-ol82832-72-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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