3-Methylcyclohexene

C₇H₁₂CAS 591-48-096.17 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₇H₁₂
Molar mass: 96.17 g/mol
Exact mass: 96.0939 Da
Density: 0.8009 g/mL (at 20 °C)
Melting point: 270 °C
Boiling point: 103 °C
logP: 2.36Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

591-48-0

SMILES

CC1C=CCCC1

InChIKey

UZPWKTCMUADILM-UHFFFAOYSA-N

InChI

InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3

Weigh it out

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

Names and synonyms

5 names

Cyclohexene, 3-methyl-
3-Methyl-1-cyclohexene
(±)-3-Methylcyclohexene
1-Methylcyclohex-2-ene
NSC 72091

Reactions

Reductive cleavage of allylic alcohols, ethers, or acetates to olefins: 3-methylcyclohexene (Cyclohexene, 3-methyl-)product

Work with 3-Methylcyclohexene

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

3-Bromocyclohexene1521-51-342 % similar 2-Cyclohexen-1-ol822-67-342 % similar (5E)-5-Decene7433-56-936 % similar 2-Methylundecanal110-41-833 % similar Isooctene11071-47-933 % similar 4-Nonene2198-23-433 % similar 2-Heptene592-77-832 % similar cis-2-Heptene6443-92-132 % similar

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

Same formula

2-Heptyne1119-65-9 Methylenecyclohexane1192-37-6 5-Methyl-1-hexyne2203-80-7 Hept-3-yne2586-89-2 1,6-Heptadiene3070-53-9 4-Methylcyclohexene591-47-9 Methylcyclohexene591-49-1 1-Heptyne628-71-7

Elsewhere

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