3-Methyl-2-penten-4-yn-1-ol

C6H8OCAS 105-29-396.13 g/mol

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OH
AlcoholAlkeneAlkyne

Properties

Molecular formula
C6H8O
Molar mass
96.13 g/mol
Exact mass
96.0575 Da
Melting point
below 25 °C
Boiling point
65 °C
logP
0.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
105-29-3
SMILES
C#CC(C)=CCO
InChIKey
ZSJHASYJQIRSLE-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Penten-4-yn-1-ol, 3-methyl-
  • 1-Hydroxy-3-methyl-2-penten-4-yne
  • 5-Hydroxy-3-methylpent-3-en-1-yne
  • 1-Pentol
  • 3-Methyl-2-penten-4-ynol

Work with 3-Methyl-2-penten-4-yn-1-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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

(2Z)-3-Methyl-2-penten-4-yn-1-ol6153-05-5

Similar compounds

Prenol556-82-144 % similar Geraniol106-24-133 % similar Nerol106-25-233 % similar Farnesol106-28-532 % similar Solanesol13190-97-132 % similar Geranylgeraniol24034-73-932 % similar Farnesol4602-84-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sorbaldehyde142-83-6 2,3-Dimethylfuran14920-89-9 3-Methyl-2-cyclopenten-1-one2758-18-1 2-Ethylfuran3208-16-0 3-Methyl-1-penten-4-yn-3-ol3230-69-1 2,5-Dimethylfuran625-86-5 Cyclohexenone930-68-7

Elsewhere

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