chempirical

Linalool oxide

C10H18O2CAS 1365-19-1170.25 g/mol

Open in Covalent MOL file
OOH
AlcoholAlkeneEther

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
Density
0.944 g/mL (at 20 °C)
Boiling point
68 °C (at 8 Torr)
logP
1.88Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
1365-19-1
SMILES
CC1(CCC(O1)C(C)(C)O)C=C
InChIKey
BRHDDEIRQPDPMG-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3

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Names and synonyms

3 names
  • Linalool, oxide
  • Linalool, epoxydihydro-
  • Epoxylinalool

Work with Linalool oxide

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

Linalool oxide60047-17-8100 % similar 2,6-Dimethyl-7-octen-2-ol18479-58-831 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8 1-Octen-3-yl acetate2442-10-6

Elsewhere

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