Linalool oxide

C₁₀H₁₈O₂CAS 60047-17-8170.25 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether

Properties

Molecular formula: C₁₀H₁₈O₂
Molar mass: 170.25 g/mol
Exact mass: 170.1307 Da
logP: 1.88Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed99.8% of notifiers
H315 Causes skin irritation21.7% of notifiers
H319 Causes serious eye irritation98.7% of notifiers

Aggregated from 1,722 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

60047-17-8

SMILES

C=CC1(C)CCC(C(C)(C)O)O1

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

Weigh it out

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

Names and synonyms

10 names

Linalool, oxide
2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-
5-Ethenyltetrahydro-α,α,5-trimethyl-2-furanmethanol
2,6-Dimethyl-3,6-oxido-7-octen-2-ol
NSC 93936
2-Methyl-5-(1-hydroxy-1-methylethyl)-2-vinyltetrahydrofuran
2-Methyl-2-ethenyl-5-(1-hydroxy-1-methylethyl)-3,4-dihydrofuran
Linalool oxide furanoid
2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol
2-(5-Ethenyl-5-methyloxolan-2-yl)propan-2-ol

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

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.

Linalool oxide1365-19-1

Similar compounds

2,6-Dimethyl-7-octen-2-ol18479-58-831 % similar Dihydromyrcenol53219-21-931 % 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

Elsewhere

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