Hexyl methyl ether

C₇H₁₆OCAS 4747-07-3116.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₆O
Molar mass: 116.20 g/mol
Exact mass: 116.1201 Da
Density: 0.7997 g/mL (at 19 °C)
Boiling point: 126.1 °C
logP: 2.21Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Danger

H225 Highly Flammable liquid and vapor11.7% of notifiers
H226 Flammable liquid and vapor88.3% of notifiers

Aggregated from 1,610 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

4747-07-3

SMILES

CCCCCCOC

InChIKey

ICBJCVRQDSQPGI-UHFFFAOYSA-N

InChI

InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

Hexane, 1-methoxy-
Ether, hexyl methyl
1-Methoxyhexane
Methyl hexyl ether
n-Hexyl methyl ether
Diola (fragrance)
Diola

Work with Hexyl methyl ether

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl methyl ether628-28-478 % similar Dihexyl ether112-58-360 % similar Octyl ether629-82-360 % similar Methoxypropane557-17-558 % similar Pentyl ether693-65-255 % similar Octane111-65-953 % similar Nonane111-84-253 % similar Dodecane112-40-353 % similar

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

Same formula

1-Heptanol111-70-6 2,2-Dimethyl-3-pentanol3970-62-5 2-Heptanol543-49-7 4-Heptanol589-55-9 3-Heptanol589-82-2 3-Ethyl-3-pentanol597-49-9 2,4-Dimethyl-3-pentanol600-36-2 (+)-2-Heptanol6033-23-4

Elsewhere

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