10-Undecynoic acid

C₁₁H₁₈O₂CAS 2777-65-3182.26 g/mol

Open in Covalent MOL file

Alkyne Carboxylic acid

Properties

Molecular formula: C₁₁H₁₈O₂
Molar mass: 182.26 g/mol
Exact mass: 182.1307 Da
Melting point: 42 °C
Boiling point: 129–131 °C
logP: 2.83Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

2777-65-3

SMILES

C#CCCCCCCCCC(=O)O

InChIKey

OAOUTNMJEFWJPO-UHFFFAOYSA-N

InChI

InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)

Weigh it out

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

Names and synonyms

1 names

10-Hendecynoic acid

Reactions

10-Undecynoic acidproduct

Work with 10-Undecynoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

17-Octadecynoic acid34450-18-5100 % similar 5-Hexynoic acid53293-00-884 % similar 4-Pentynoic acid6089-09-469 % similar Pimelic acid111-16-063 % similar Sebacic acid111-20-663 % similar Pentadecanedioic acid1460-18-063 % similar Heptadecanedioic acid2424-90-063 % similar Eicosanedioic acid2424-92-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-nonynoate10031-92-2 Geranyl formate105-86-2 (Z)-3-Hexenyl tiglate67883-79-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook