chempirical

Isocyclocitral

C20H32O2CAS 1335-66-6304.47 g/mol

Open in Covalent MOL file
OO
AldehydeAlkene

Properties

Molecular formula
C20H32O2
Molar mass
304.47 g/mol
Exact mass
304.2402 Da
logP
4.85Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1335-66-6
SMILES
CC1CC(=CC(C1C=O)C)C.CC1C=C(CC(C1C)C=O)C
InChIKey
AEXLFXYEFLKADK-UHFFFAOYSA-N
InChI
InChI=1S/2C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11;1-7-4-8(2)10(6-11)9(3)5-7/h2*4,6,8-10H,5H2,1-3H3

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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

Triplal68039-49-645 % similar 2,3-Dimethylpentanal32749-94-334 % similar

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

Same formula

1α-Methyl-5α-androstan-17β-ol-3-one1424-00-6 Arachidonic acid506-32-1 Methandriol521-10-8 Mestanolone521-11-9

Elsewhere

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