chempirical

tert-Amyl alcohol

C5H12OCAS 75-85-488.15 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
Density
0.8096 g/mL (at 20 °C)
Melting point
−8.8 °C
Boiling point
102.4 °C
logP
1.17Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
75-85-4
SMILES
CCC(C)(C)O
InChIKey
MSXVEPNJUHWQHW-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • 2-Butanol, 2-methyl-
  • tert-Pentyl alcohol
  • 2-Methyl-2-butanol
  • Amylene hydrate
  • Dimethylethylcarbinol
  • tert-Pentanol
  • Ethyldimethylcarbinol
  • 1,1-Dimethyl-1-propanol
  • 2-Methyl-2-hydroxybutane
  • 2-Ethyl-2-propanol
  • 2-Hydroxy-2-methylbutane
  • NSC 25498

Work with tert-Amyl alcohol

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-Dimethyl-2,5-hexanediol110-03-253 % similar 2-Methyl-2-pentanol590-36-350 % similar 2-Methyl-2-hexanol625-23-048 % similar 2-Methyl-1,2-propanediol558-43-047 % similar 3-Methyl-3-pentanol77-74-747 % similar 1-Amino-2-methyl-2-propanol2854-16-245 % similar 1-Chloro-2-methyl-2-propanol558-42-945 % similar 3-Ethyl-3-pentanol597-49-944 % similar

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

Same formula

Isoamyl alcohol123-51-3 2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 Methyl tert-butyl ether1634-04-4 (+)-2-Pentanol26184-62-3 2-Methyl-1-butanol34713-94-5 3-Pentanol584-02-1 3-Methyl-2-butanol598-75-4

Elsewhere

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