chempirical

2-Propyn-1-ylcyclohexane

C9H14CAS 17715-00-3122.21 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C9H14
Molar mass
122.21 g/mol
Exact mass
122.1096 Da
Density
0.836 g/mL (at 20 °C)
Boiling point
157.5 °C
logP
2.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, P501

Identifiers

CAS number
17715-00-3
SMILES
C#CCC1CCCCC1
InChIKey
UARFKZSJGDQRLF-UHFFFAOYSA-N
InChI
InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,9H,3-8H2

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

Names and synonyms

8 names
  • Cyclohexane, 2-propyn-1-yl-
  • Cyclohexane, 2-propynyl-
  • Propyne, 3-cyclohexyl-
  • 3-Cyclohexyl-1-propyne
  • 2-Propynylcyclohexane
  • Propargylcyclohexane
  • 3-Cyclohexylpropyne
  • 1-Prop-2-ynylcyclohexane

Reactions

Work with 2-Propyn-1-ylcyclohexane

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

1,9-Decadiyne1720-38-338 % similar 1,8-Nonadiyne2396-65-838 % similar Cyclohexylmethanol100-49-235 % similar Ethylcyclohexane1678-91-735 % similar Cyclohexanemethanamine3218-02-835 % similar 4-Pentyn-2-ol2117-11-535 % similar 2-Cyclohexylethyl bromide1647-26-333 % similar Propylcyclohexane1678-92-833 % similar

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

Same formula

1,2-Cyclononadiene1123-11-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook