chempirical

Alismoxide

C15H26O2CAS 87701-68-6238.37 g/mol

Open in Covalent MOL file
HOOH
AlcoholAlkene

Properties

Molecular formula
C15H26O2
Molar mass
238.37 g/mol
Exact mass
238.1933 Da
logP
2.89Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
S, R, S, Rin SMILES atom order

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
87701-68-6
SMILES
CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](CC1)(C)O
InChIKey
IWQURBSTAIRNAE-BARDWOONSA-N
InChI
InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h9-10,12-13,16-17H,5-8H2,1-4H3/t12-,13+,14-,15+/m1/s1

Weigh it out

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

Work with Alismoxide

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

Spathulenol6750-60-331 % similar

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

Same formula

Geranyl isovalerate109-20-6 Isobornyl isovalerate7779-73-9 (Trans,trans)-4′-Ethyl[1,1′-bicyclohexyl]-4-carboxylic acid84976-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook