chempirical

Diisoamyl ether

C10H22OCAS 544-01-4158.28 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C10H22O
Molar mass
158.28 g/mol
Exact mass
158.1671 Da
Density
0.7777 g/mL (at 12 °C)
Boiling point
172.5 °C
logP
3.10Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
544-01-4
SMILES
CC(C)CCOCCC(C)C
InChIKey
AQZGPSLYZOOYQP-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

9 names
  • Butane, 1,1′-oxybis[3-methyl-
  • Isopentyl ether
  • 1,1′-Oxybis[3-methylbutane]
  • Isoamyl ether
  • Isoamyl oxide
  • Diisopentyl ether
  • Di-3-methylbutyl ether
  • NSC 9281
  • 3-Methyl-1-(3-methylbutoxy)butane

Work with Diisoamyl ether

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

2,5-Dimethylhexane592-13-253 % similar Benzyl isopentyl ether122-73-650 % similar Isoamyl formate110-45-248 % similar Isoamyl nitrite110-46-348 % similar 2,7-Dimethyloctane1072-16-847 % similar Isoamyl acetate123-92-244 % similar Isoamyl isobutyrate2050-01-342 % similar Isoamyl nitrate543-87-342 % similar

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

Same formula

2-Propylheptanol10042-59-8 3,7-Dimethyl-1-octanol106-21-8 (±)-2-Decanol1120-06-5 1-Decanol112-30-1 4-Methyl-5-nonanol154170-44-2 3-Decanol1565-81-7 4-Decanol2051-31-2 3-Methyl-3-nonanol21078-72-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook