chempirical

3-Methyl-3-pentanol

C6H14OCAS 77-74-7102.18 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
0.8452 g/mL (at 0 °C)
Melting point
−23.6 °C
Boiling point
122.4 °C
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
77-74-7
SMILES
CCC(C)(O)CC
InChIKey
FRDAATYAJDYRNW-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • 3-Pentanol, 3-methyl-
  • 3-Hydroxy-3-methylpentane
  • 1-Ethyl-1-methyl-1-propanol
  • 3-Methyl-3-pentyl alcohol
  • 2-Ethyl-2-butanol
  • NSC 75837

Work with 3-Methyl-3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethyl-3-hexanol4209-91-059 % similar 3-Methyl-3-octanol5340-36-357 % similar 3-Methyl-3-nonanol21078-72-854 % similar Tetrahydrolinalool78-69-350 % similar α-Ethyl-α-methylbenzenepropanol10415-87-948 % similar Dihydrolinalool18479-51-148 % similar 1-Methylcyclopentanol1462-03-947 % similar tert-Amyl alcohol75-85-447 % 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 3-Methyl-1-pentanol589-35-5

Elsewhere

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