chempirical

3-Ethyl-1-pentyn-3-ol

C7H12OCAS 6285-06-9112.17 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
Density
0.8691 g/mL (at 20 °C)
Boiling point
138 °C
logP
1.17Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
6285-06-9
SMILES
C#CC(O)(CC)CC
InChIKey
PUNRPAWKFTXZIW-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Pentyn-3-ol, 3-ethyl-
  • 3-Pentanol, 3-ethynyl-
  • Diethylethynylcarbinol
  • 3-Ethyl-1-pentyne-3-ol
  • NSC 5588

Work with 3-Ethyl-1-pentyn-3-ol

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-Ethyl-1-heptyn-3-ol5396-61-271 % similar 1-Ethynylcyclopentanol17356-19-355 % similar 1-Ethynylcyclohexanol78-27-352 % similar 3-Methyl-1-pentyn-3-ol77-75-852 % similar 2-Methylbut-3-yn-2-ol115-19-538 % similar 3,6-Dimethyl-4-octyne-3,6-diol78-66-035 % similar tert-Amyl alcohol75-85-433 % similar 3-Methyl-3-pentanol77-74-733 % similar

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

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 trans-2-Heptenal18829-55-5 4-Heptyn-2-ol19781-81-8 Cyclohexanecarboxaldehyde2043-61-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook