Isooctene

C₈H₁₆CAS 11071-47-9112.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆
Molar mass: 112.22 g/mol
Exact mass: 112.1252 Da
Boiling point: 80–171 °C
logP: 3.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

11071-47-9

SMILES

CC(C)CCCC=C

InChIKey

DFVOXRAAHOJJBN-UHFFFAOYSA-N

InChI

InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3

Weigh it out

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

Names and synonyms

2 names

Di-n-butene
6-Methyl-1-heptene

Work with Isooctene

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

5-Methyl-1-hexene3524-73-071 % similar 2,7-Dimethyloctane1072-16-850 % similar 1,6-Heptadiene3070-53-950 % similar 1,7-Octadiene3710-30-350 % similar 4-Methyl-1-pentene691-37-248 % similar 1,9-Decadiene1647-16-148 % similar 1,13-Tetradecadiene21964-49-848 % similar 1,8-Nonadiene4900-30-548 % similar

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

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 2,4,4-Trimethyl-2-pentene107-40-4 1-Octene111-66-0 2-Octene111-67-1 trans-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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