4-Pentyn-1-ol
Properties
- Molecular formula
- C5H8O
- Molar mass
- 84.12 g/mol
- Exact mass
- 84.0575 Da
- Density
- 0.909 g/mL (at 19 °C)
- Boiling point
- 154 °C
- logP
- 0.39Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation96.7% of notifiers
Aggregated from 60 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
5390-04-5SMILES
C#CCCCOInChIKey
CRWVOXFUXPYTRK-UHFFFAOYSA-NInChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 1-Pentyn-5-ol
- 1-Hydroxy-4-pentyne
- 5-Hydroxy-1-pentyne
- Pent-4-yne-1-ol
- NSC 5274
- (3-Hydroxypropyl)acetylene
- Pent-4-yn-1-ol
- Pentyne alcohol
Reactions
Work with 4-Pentyn-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
Similar compounds
5-Hexyn-1-ol928-90-583 % similar
10-Undecyn-1-ol2774-84-779 % similar
7-Octyn-1-ol871-91-079 % similar
3-Butyn-1-ol927-74-267 % similar
1,6-Heptadiyne2396-63-659 % similar
1,7-Octadiyne871-84-159 % similar
1,9-Decadiyne1720-38-356 % similar
1,8-Nonadiyne2396-65-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds