Allylcyclohexane

C₉H₁₆CAS 2114-42-3124.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆
Molar mass: 124.23 g/mol
Exact mass: 124.1252 Da
Density: 0.8156 g/mL (at 20 °C)
Melting point: 330 °C
Boiling point: 132 °C
logP: 3.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed88.6% of notifiers
H304 May be fatal if swallowed and enters airways11.4% of notifiers
H318 Causes serious eye damage97.7% of notifiers
H413 May cause long lasting harmful effects to aquatic life88.6% of notifiers

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, P273, P280, P301+P316, P303+P361+P353, P305+P354+P338, P317, P321, P330, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

2114-42-3

SMILES

C=CCC1CCCCC1

InChIKey

KVOZXXSUSRZIKD-UHFFFAOYSA-N

InChI

InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2

Weigh it out

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

Names and synonyms

10 names

Cyclohexane, 2-propen-1-yl-
Cyclohexane, allyl-
Cyclohexane, 2-propenyl-
2-Propen-1-ylcyclohexane
1-Propene, 3-cyclohexyl-
1-Cyclohexyl-2-propene
3-Cyclohexyl-1-propene
Allycyclohexane
2-Propenyl cyclohexane
NSC 110882

Work with Allylcyclohexane

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

Piperidine, 2-(2-propenyl)-, (S)- (9ci)133294-33-444 % similar N-2-Propen-1-ylcyclohexanamine6628-00-842 % similar 2-Allylcyclohexanone94-66-640 % similar Allyl cyclohexanepropionate2705-87-539 % similar 1,6-Heptadien-4-ol2883-45-639 % similar 4-Methyl-1-pentene691-37-239 % similar Vinylcyclohexane695-12-539 % similar 1,9-Decadiene1647-16-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Nonyne19447-29-1 3-Nonyne20184-89-8 4-Nonyne20184-91-2 1-Nonyne3452-09-3 1,8-Nonadiene4900-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook