1-Dodecyne

C₁₂H₂₂CAS 765-03-7166.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₂
Molar mass: 166.31 g/mol
Exact mass: 166.1722 Da
Melting point: −19 °C
Boiling point: 215 °C
logP: 4.15Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 8

Hazards

Danger

H318 Causes serious eye damage97.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P501

Identifiers

CAS number

765-03-7

SMILES

C#CCCCCCCCCCC

InChIKey

ZVDBUOGYYYNMQI-UHFFFAOYSA-N

InChI

InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3

Weigh it out

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

Names and synonyms

2 names

Decylacetylene
n-Decylacetylene

Work with 1-Dodecyne

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-Undecyne2243-98-3100 % similar 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

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

Same formula

Cyclododecene1501-82-2 5-Dodecyne19780-12-2 6-Dodecyne6975-99-1 Bicyclohexyl92-51-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook