4-Methyl-1-octyn-4-ol

C₉H₁₆OCAS 22128-43-4140.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆O
Molar mass: 140.23 g/mol
Exact mass: 140.1201 Da
Boiling point: 58–64 °C (at 4 Torr)
logP: 1.95Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Identifiers

CAS number

22128-43-4

SMILES

C#CCC(C)(O)CCCC

InChIKey

VWNNGOBVFMFPNE-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O/c1-4-6-8-9(3,10)7-5-2/h2,10H,4,6-8H2,1,3H3

Weigh it out

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

Names and synonyms

3 names

1-Octyn-4-ol, 4-methyl-
4-Methyl-4-hydroxy-1-octyne
(±)-4-Methyl-1-octyn-4-ol

Work with 4-Methyl-1-octyn-4-ol

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

Same formula

Cyclohexylacetone103-78-6 (±)-2,6-Dimethyl-5-heptenal106-72-9 1-(2-Propen-1-yl)cyclohexanol1123-34-8 3-Nonen-2-one14309-57-0 2-Nonenal18829-56-6 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 cis-6-Nonenal2277-19-2 2,2,6-Trimethylcyclohexanone2408-37-9

Elsewhere

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