Diisobutylene

C₈H₁₆CAS 25167-70-8112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Density: 0.7175 g/mL (at 20 °C)
Boiling point: 101 °C
logP: 3.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

25167-70-8

SMILES

CC(=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

Pentene, 2,4,4-trimethyl-
2,4,4-Trimethylpentene
Diisobutene
2,2,4-Trimethylpentene
2,4,4-Trimethyl-1-pentene

Work with Diisobutylene

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.

2,4,4-Trimethyl-1-pentene107-39-1

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook