2,3,3-Trimethylbut-1-ene
Properties
- Molecular formula
- C7H14
- Molar mass
- 98.19 g/mol
- Exact mass
- 98.1096 Da
- Density
- 0.7235 g/mL (at 40 °C)
- Melting point
- −109.9 °C
- Boiling point
- 77.9 °C
- logP
- 2.61Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 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
594-56-9SMILES
C=C(C)C(C)(C)CInChIKey
AUYRUAVCWOAHQN-UHFFFAOYSA-NInChI
InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2,3,3-Trimethyl-1-butene
- 1-Butene, 2,3,3-trimethyl-
- Triptene
- 1-Methyl-1-tert-butylethylene
- 2,3,3-Trimethylbutene
- 2-tert-Butylpropene
- 1-Methyl-1-tert-butylethene
- 1-tert-Butyl-1-methylethylene
- 2,2,3-Trimethylbutene
- NSC 73922
Work with 2,3,3-Trimethylbut-1-ene
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
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds