chempirical

3-Methyl-1-pentyn-3-ol

C6H10OCAS 77-75-898.14 g/mol

Open in Covalent MOL file
HO
AlcoholAlkyne

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Density
0.869 g/mL (at 19 °C)
Melting point
30.5 °C
Boiling point
120.5 °C
logP
0.78Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
77-75-8
SMILES
C#CC(C)(O)CC
InChIKey
QXLPXWSKPNOQLE-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3

Weigh it out

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

Names and synonyms

44 names · show all
  • 1-Pentyn-3-ol, 3-methyl-
  • Allotropal
  • Apridol
  • Atempol
  • 2-Butanol, 2-ethynyl-
  • Dormidin
  • Dormigen
  • Dormiphen
  • Dormison
  • Dormosan
  • 2-Ethynyl-2-butanol
  • Formison
  • Hexofen
  • Imnudorm
  • Meparfynol
  • Methylparafynol
  • 3-Methylpent-1-yn-3-ol
  • Oblivon
  • Pentadorm
  • Pentinol
  • Perlopal
  • Riposon
  • Seral
  • Somnesin
  • Methylpentynol
  • 3-Hydroxy-3-methyl-1-pentyne
  • 3-Methyl-4-pentyn-3-ol
  • 3-Methyl-1-pentyne-3-ol
  • α-Ethyl-α-methylpropargyl alcohol
  • Pentydorm
  • Melpintol
  • Citodorm
  • Sedapercut
  • Ethynylethylmethylcarbinol
  • Olfine P
  • (±)-3-Methylpent-1-yn-3-ol
  • Dormalest
  • Hesofen
  • Atemorin
  • Dorison
  • Dalgol
  • anti-Stress
  • NSC 28797
  • NSC 975

Work with 3-Methyl-1-pentyn-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,6-Dimethyl-4-octyne-3,6-diol78-66-061 % similar 3,5-Dimethyl-1-hexyn-3-ol107-54-054 % similar 3-Ethyl-1-pentyn-3-ol6285-06-952 % similar 3,6-Dimethyl-1-heptyn-3-ol19549-98-552 % similar 3-Ethyl-1-heptyn-3-ol5396-61-248 % similar 2-Methylbut-3-yn-2-ol115-19-540 % similar 4,7-Dimethyl-5-decyn-4,7-diol126-87-439 % similar tert-Amyl alcohol75-85-436 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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