5-Hexenoic acid

C₆H₁₀O₂CAS 1577-22-6114.14 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
logP: 1.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

1577-22-6

SMILES

C=CCCCC(=O)O

InChIKey

XUDOZULIAWNMIU-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)

Weigh it out

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

Work with 5-Hexenoic acid

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

6-Heptenoic acid1119-60-488 % similar Undecylenic acid112-38-984 % similar 9-Decenoic acid14436-32-984 % similar 4-Pentenoic acid591-80-075 % similar Glutaric acid110-94-157 % similar Adipic acid124-04-957 % similar Pimelic acid111-16-054 % similar Sebacic acid111-20-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 Beta-Methyl-delta-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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