chempirical

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

C6H8OCAS 3230-69-196.13 g/mol

Open in Covalent MOL file
HO
AlcoholAlkeneAlkyne

Properties

Molecular formula
C6H8O
Molar mass
96.13 g/mol
Exact mass
96.0575 Da
Density
0.9112 g/mL (at 20 °C)
Boiling point
65 °C (at 22 Torr)
logP
0.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
3230-69-1
SMILES
C#CC(C)(O)C=C
InChIKey
VBATUBQIYXCZPA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Penten-4-yn-3-ol, 3-methyl-
  • Ethynylmethylvinylcarbinol
  • 3-Methyl-4-penten-1-yn-3-ol
  • 2-Vinyl-3-butyn-2-ol
  • NSC 44005

Work with 3-Methyl-1-penten-4-yn-3-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

2-Methyl-3-buten-2-ol115-18-438 % similar 2-Methylbut-3-yn-2-ol115-19-538 % similar 3-Methyl-1-pentyn-3-ol77-75-832 % similar 3-Methyl-1-penten-3-ol918-85-432 % similar Neohexene558-37-232 % similar 3,3-Dimethyl-1-butyne917-92-032 % similar 3-Ethyl-1-pentyn-3-ol6285-06-930 % similar

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

Same formula

3-Methyl-2-penten-4-yn-1-ol105-29-3 Sorbaldehyde142-83-6 3-Methyl-2-cyclopenten-1-one2758-18-1 2-Ethylfuran3208-16-0 (2Z)-3-Methyl-2-penten-4-yn-1-ol6153-05-5 2,5-Dimethylfuran625-86-5 Cyclohexenone930-68-7

Elsewhere

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