chempirical

(S)-2-Methyl-1-butanol

C5H12OCAS 1565-80-688.15 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
0.8279 g/mL (at 30 °C)
Melting point
130 °C
Boiling point
103–104 °C (at 21 Torr)
logP
1.02Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1565-80-6
SMILES
CC[C@H](C)CO
InChIKey
QPRQEDXDYOZYLA-YFKPBYRVSA-N
InChI
InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 1-Butanol, 2-methyl-, (2S)-
  • 1-Butanol, 2-methyl-, (S)-
  • 1-Butanol, 2-methyl-, l-
  • 1-Butanol, 2-methyl-, (S)-(-)-
  • (2S)-2-Methyl-1-butanol
  • (S)-(-)-2-Methyl-1-butanol
  • (-)-2-Methyl-1-butanol
  • (-)-(S)-2-Methyl-1-butanol
  • D-(-)-2-Methyl-1-butanol
  • (S)-(-)-2-Methylbutanol
  • (2S)-2-Methylbutan-1-ol
  • (-)-2-Methylbutanol

Work with (S)-2-Methyl-1-butanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-1,3-propanediol2163-42-065 % similar 3-Methylpentane96-14-059 % similar 2-Methyl-1-pentanol105-30-655 % similar 3-Methyl-1-pentanol589-35-555 % similar 3,5-Dimethylheptane926-82-953 % similar (2R)-2-Methyl-1,4-butanediol22644-28-650 % similar 2-Ethyl-1-butanol97-95-050 % similar 5-Methyl-3-heptanol18720-65-546 % 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 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 2-Pentanol6032-29-7

Elsewhere

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