chempirical

3-Methyl-1-pentanol

C6H14OCAS 589-35-5102.18 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C6H14O
Molar mass
102.18 g/mol
Exact mass
102.1045 Da
Density
0.822 g/mL (at 27 °C)
Boiling point
72 °C (at 25 Torr)
logP
1.41Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
589-35-5
SMILES
CCC(C)CCO
InChIKey
IWTBVKIGCDZRPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Pentanol, 3-methyl-
  • 2-Ethyl-4-butanol
  • 3-Ethyl-1-butanol
  • 3-Methylpentanol
  • (DL)-3-Methylpentyl alcohol
  • (±)-3-Methyl-1-pentanol
  • NSC 9466
  • 3-Ethylbutanol

Work with 3-Methyl-1-pentanol

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

(2R)-2-Methyl-1,4-butanediol22644-28-659 % similar 3,5,5-Trimethyl-1-hexanol3452-97-956 % similar 2-Methyl-1-butanol137-32-655 % similar (S)-2-Methyl-1-butanol1565-80-655 % similar 2-Methyl-1-butanol34713-94-555 % similar 3-Methylhexane589-34-455 % similar 3-Methylpentane96-14-053 % similar 3,7-Dimethyl-1-octanol106-21-850 % similar

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

Same formula

2-Methyl-1-pentanol105-30-6 4-Methyl-2-pentanol108-11-2 Diisopropyl ether108-20-3 1-Hexanol111-27-3 Di-N-propyl ether111-43-3 Pinacolyl alcohol464-07-3 2-Methyl-3-pentanol565-67-3 2-Methyl-2-pentanol590-36-3

Elsewhere

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