Isooctene
Properties
- Molecular formula
- C8H16
- Molar mass
- 112.22 g/mol
- Exact mass
- 112.1252 Da
- Boiling point
- 80–171 °C
- Flash point
- -6.7 °C
- logP
- 3.00Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H411 Toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
11071-47-9SMILES
CC(C)CCCC=CInChIKey
DFVOXRAAHOJJBN-UHFFFAOYSA-NInChI
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3Weigh 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.