2,4,4-Trimethyl-1-pentene

C₈H₁₆CAS 107-39-1112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.715 g/mL (at 20 °C)
Melting point: −93.5 °C
Boiling point: 101.4 °C
Flash point: -5 °C
Water solubility: insoluble
logP: 3.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, P501

Identifiers

CAS number

107-39-1

SMILES

C=C(C)CC(C)(C)C

InChIKey

FXNDIJDIPNCZQJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

Weigh it out

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

Names and synonyms

5 names

1-Pentene, 2,4,4-trimethyl-
2,2,4-Trimethyl-4-pentene
1-Methyl-1-neopentylethylene
NSC 73942
NSC 8701

Work with 2,4,4-Trimethyl-1-pentene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diisobutylene25167-70-8

Similar compounds

2,5-Dimethyl-1,5-hexadiene627-58-745 % similar 4,4-Dimethyl-2-pentanone590-50-142 % similar 2-Methyl-1-butene563-46-241 % similar Methallyl bromide1458-98-639 % similar Methallyl alcohol513-42-839 % similar Methallyl chloride563-47-339 % similar 2-Methyl-1-pentene763-29-138 % similar Methallyltrimethylsilane18292-38-136 % similar

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

Same formula

2,4,4-Trimethyl-2-pentene107-40-4 Isooctene11071-47-9 1-Octene111-66-0 2-Octene111-67-1 2-Octene13389-42-9 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8 2-Methyl-1-heptene15870-10-7

Elsewhere

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