chempirical

1-Ethoxy-1-butyne

C6H10OCAS 14272-91-498.14 g/mol

Open in Covalent MOL file
O
AlkyneEther

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
logP
1.39Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
14272-91-4
SMILES
CCC#COCC
InChIKey
NUXCHNORRRTFCY-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 1-Ethoxybut-1-yne
  • Ethoxy(ethyl)acetylene
  • 1-Ethoxy-but-1-yne

Reactions

Work with 1-Ethoxy-1-butyne

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

3-Hexyne928-49-444 % similar Ethoxyacetylene927-80-039 % similar Ethyl 2-pentynoate55314-57-338 % similar 2-Pentyne627-21-436 % similar 3,9-Dodecadiyne61827-89-235 % similar 1-Bromopent-2-yne16400-32-133 % similar 1-Chloro-2-pentyne22592-15-033 % similar Hept-3-yne2586-89-233 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexene-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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