4-Methyl-1-octyn-4-ol

C9H16OCAS 22128-43-4140.23 g/mol

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OH
AlcoholAlkyne

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Similar compounds

5-Methyl-5-nonanol33933-78-763 % similar 3-Methyl-3-heptanol5582-82-157 % similar 4-Methyl-4-nonanol23418-38-452 % similar 3-Methyl-3-octanol5340-36-350 % similar 3-Methyl-3-nonanol21078-72-848 % similar 3-Ethyl-1-heptyn-3-ol5396-61-244 % similar 2-Methylhexan-2-ol625-23-043 % similar 1-Methylcyclopentanol1462-03-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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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