4-Pentenal

C5H8OCAS 2100-17-684.12 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.852 g/mL (at 20 °C)
Boiling point
99 °C
logP
1.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,381 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number
2100-17-6
SMILES
C=CCCC=O
InChIKey
QUMSUJWRUHPEEJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2

Weigh it out

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

Names and synonyms

1 names
  • Pent-4-en-1-al

Work with 4-Pentenal

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

10-Undecenal112-45-865 % similar 1,5-Hexadiene592-42-760 % similar Succinaldehyde638-37-960 % similar Hexanedial1072-21-544 % similar Glutaraldehyde111-30-844 % similar 1,6-Heptadiene3070-53-944 % similar 1,7-Octadiene3710-30-344 % similar 1,9-Decadiene1647-16-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Pentyn-1-ol10229-10-4 3-Methyl-2-butenal107-86-8 3,4-Dihydropyran110-87-2 2-Methylbut-3-yn-2-ol115-19-5 Cyclopentanone120-92-3 3-Cyclopenten-1-ol14320-38-8 (E)-2-Pentenal1576-87-0 1-Penten-3-one1629-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook