3-Pentyn-1-ol
Properties
- Molecular formula
- C5H8O
- Molar mass
- 84.12 g/mol
- Exact mass
- 84.0575 Da
- Density
- 0.9002 g/mL (at 20 °C)
- Boiling point
- 154 °C
- logP
- 0.39Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation91.8% of notifiers
- H319 Causes serious eye irritation91.8% of notifiers
- H335 May cause respiratory irritation89.8% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
10229-10-4SMILES
CC#CCCOInChIKey
IDYNOORNKYEHHO-UHFFFAOYSA-NInChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- 1-Hydroxy-3-pentyne
Work with 3-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
3-Hexyn-1-ol1002-28-450 % similar
3-Heptyn-1-ol14916-79-150 % similar
2-Butyn-1-ol764-01-250 % similar
2-Hexyne764-35-248 % similar
3-Octyn-1-ol14916-80-446 % similar
2-Pentyne627-21-445 % similar
Non-3-yn-1-ol31333-13-844 % similar
2-Heptyne1119-65-943 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.