chempirical

Crotyl alcohol

C4H8OCAS 6117-91-572.11 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C4H8O
Molar mass
72.11 g/mol
Exact mass
72.0575 Da
Boiling point
119–120 °C (at 759 Torr)
logP
0.55Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
6117-91-5
SMILES
CC=CCO
InChIKey
WCASXYBKJHWFMY-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 2-Buten-1-ol
  • Crotonyl alcohol
  • 2-Butenyl alcohol
  • 3-Methylallyl alcohol
  • 1-Hydroxy-2-butene
  • Crotonol
  • NSC 17480

Work with Crotyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Hexadien-1-ol111-28-461 % similar (2E,4E)-2,4-Hexadien-1-ol17102-64-661 % similar 2-Butene-1,4-diol110-64-557 % similar cis-Butene-1,4-diol6117-80-257 % similar trans-2-Butene-1,4-diol821-11-457 % similar cis-2-Penten-1-ol1576-95-047 % similar (2E,4E)-2,4-Heptadien-1-ol33467-79-743 % similar cis-4-Hexen-1-ol928-91-643 % similar

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

Same formula

1,2-Epoxybutane106-88-7 Ethyl vinyl ether109-92-2 Tetrahydrofuran109-99-9 2-Methoxypropene116-11-0 Butyraldehyde123-72-8 Deuterated thf1693-74-9 cis-2,3-Epoxybutane1758-33-4 trans-2,3-Dimethyloxirane21490-63-1

Elsewhere

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