chempirical

6-Hydroxyhexanoic acid methyl ester

C7H14O3CAS 4547-43-7146.19 g/mol

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OOOH
AlcoholEster

Properties

Molecular formula
C7H14O3
Molar mass
146.19 g/mol
Exact mass
146.0943 Da
Density
1.0214 g/mL (at 20 °C)
Melting point
123–124 °C
Boiling point
123 °C (at 12 Torr)
logP
0.71Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
4547-43-7
SMILES
COC(=O)CCCCCO
InChIKey
YDJZXHZRXDLCEH-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O3/c1-10-7(9)5-3-2-4-6-8/h8H,2-6H2,1H3

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

Names and synonyms

6 names
  • Hexanoic acid, 6-hydroxy-, methyl ester
  • Methyl ε-hydroxycaproate
  • Methyl 6-hydroxycaproate
  • Methyl 6-hydroxyhexanoate
  • 5-Methoxycarbonylpentanol
  • 6-Hydroxycaproic acid methyl ester

Work with 6-Hydroxyhexanoic acid methyl ester

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

Dimethyl sebacate106-79-675 % similar 1,12-Dimethyl dodecanedioate1731-79-975 % similar Dimethyl pimelate1732-08-775 % similar Dimethyl suberate1732-09-875 % similar Dimethyl azelate1732-10-175 % similar Dimethyl adipate627-93-071 % similar Rhodasolv RPDE NA95481-62-268 % similar Dimethyl glutarate1119-40-067 % similar

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

Same formula

Glycidaldehyde diethyl acetal13269-77-7 N-Butyl lactate138-22-7 Methyl 3-hydroxyhexanoate21188-58-9 Tetrahydrofurfuryl polyethylene glycol31692-85-0 Butyl (2S)-2-hydroxypropanoate34451-19-9 3-Methoxybutyl acetate4435-53-4 [2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-5 Isobutyl (R)-2-hydroxypropionate61597-96-4

Elsewhere

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