5-Hexyn-1-ol

C6H10OCAS 928-90-598.14 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Density
0.902 g/mL (at 20 °C)
Melting point
172 °C
Boiling point
75 °C (at 16 Torr)
logP
0.78Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
928-90-5
SMILES
C#CCCCCO
InChIKey
GOQJMMHTSOQIEI-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2

Weigh it out

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

Names and synonyms

5 names
  • 1-Hydroxy-5-hexyne
  • 6-Hydroxy-1-hexyne
  • 5-Hexynyl alcohol
  • 5-Hexynol
  • 1-Hexyn-6-ol

Work with 5-Hexyn-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

10-Undecyn-1-ol2774-84-794 % similar 6-Heptyn-1-ol63478-76-294 % similar 7-Octyn-1-ol871-91-094 % similar 4-Pentyn-1-ol5390-04-583 % similar 1,7-Octadiyne871-84-165 % similar 3-Butyn-1-ol927-74-263 % similar 1,9-Decadiyne1720-38-361 % similar 1,8-Nonadiyne2396-65-861 % 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-Hexene-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook