1-Undecyne

C₁₁H₂₀CAS 2243-98-3152.28 g/mol

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Properties

Molecular formula: C₁₁H₂₀
Molar mass: 152.28 g/mol
Exact mass: 152.1565 Da
Density: 0.8024 g/mL (at 13 °C)
Melting point: −25 °C
Boiling point: 196 °C
logP: 3.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

Hazards

Warning

H319 Causes serious eye irritation97.6% of notifiers
H413 May cause long lasting harmful effects to aquatic life97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P501

Identifiers

CAS number

2243-98-3

SMILES

C#CCCCCCCCCC

InChIKey

YVSFLVNWJIEJRV-UHFFFAOYSA-N

InChI

InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3

Weigh it out

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

Names and synonyms

1 names

NSC 87633

Work with 1-Undecyne

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

1-Heptadecyne26186-00-5100 % similar 1-Tridecyne26186-02-7100 % similar 1-Nonyne3452-09-3100 % similar 1-Octyne629-05-0100 % similar 1-Hexadecyne629-74-3100 % similar 1-Octadecyne629-89-0100 % similar 1-Decyne764-93-2100 % similar 1-Dodecyne765-03-7100 % similar

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

Same formula

5-Undecyne2294-72-6 3-Undecyne60212-30-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook