chempirical

1,3-Diisopropylbenzene

C12H18CAS 99-62-7162.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H18
Molar mass
162.28 g/mol
Exact mass
162.1409 Da
Density
0.8559 g/mL (at 20 °C)
Melting point
−61 °C
Boiling point
203.2 °C
logP
3.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
99-62-7
SMILES
CC(C)c1cccc(C(C)C)c1
InChIKey
UNEATYXSUBPPKP-UHFFFAOYSA-N
InChI
InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3

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Names and synonyms

8 names
  • Benzene, 1,3-bis(1-methylethyl)-
  • Benzene, m-diisopropyl-
  • 1,3-Bis(1-methylethyl)benzene
  • m-Di-iso-propylbenzene
  • m-Diisopropylbenzene
  • 3,5-Diisopropylbenzene
  • 1,3-Di(propan-2-yl)benzene
  • 1,3-Bis(propan-2-yl)benzene

Work with 1,3-Diisopropylbenzene

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

M-Cymene535-77-368 % similar 3-(1-Methylethyl)benzenamine5369-16-465 % similar 3-Isopropylphenol618-45-165 % similar 1,3,5-Triisopropylbenzene717-74-865 % similar Cumene98-82-863 % similar 2,6-Diisopropylnaphthalene24157-81-157 % similar 2-Isopropylnaphthalene2027-17-054 % similar Hinokitiol499-44-554 % similar

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

Same formula

1,4-Diisopropylbenzene100-18-5 1,3,5-Triethylbenzene102-25-0 Hexylbenzene1077-16-3 1,2,4-Trivinylcyclohexane2855-27-8 1,5,9-Cyclododecatriene4904-61-4 Trans,trans,trans-1,5,9-cyclododecatriene676-22-2 Cyclododecatriene706-31-0 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-0

Elsewhere

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