1,3,5,5-Tetramethyl-1,3-cyclohexadiene

C₁₀H₁₆CAS 4724-89-4136.24 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.9075 g/mL (at 20 °C)
Boiling point: 151–155 °C
logP: 3.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

4724-89-4

SMILES

CC1=CC(C)(C)CC(C)=C1

InChIKey

SZHAWDAGEJWQJK-UHFFFAOYSA-N

InChI

InChI=1S/C10H16/c1-8-5-9(2)7-10(3,4)6-8/h5-6H,7H2,1-4H3

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

Names and synonyms

2 names

1,3-Cyclohexadiene, 1,3,5,5-tetramethyl-
NSC 123453

Work with 1,3,5,5-Tetramethyl-1,3-cyclohexadiene

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

Isophorone78-59-136 % similar

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

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 β-Ocimene13877-91-3 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3 (-)-Beta-Pinene18172-67-3 (+-)-Alpha-Pinene2437-95-8 Adamantane281-23-2

Elsewhere

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