Monomers

Butadiene monoxide

Identifiers

IUPAC name
2-ethenyloxirane
InchI
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
InchI Key
GXBYFVGCMPJVJX-UHFFFAOYSA-N
SMILES
C=CC1CO1
Canonical SMILES
C=CC1CO1
Isomeric SMILES
C=CC1CO1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O
Heavy Atom Count
5
Molecular Weight
70.091
Exact Molecular Weight
70.0419
Valence Electrons
28
Radical Electrons
0
tPSA
12.53
MolLogP
0.5712
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.8680    0.0347   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120   -0.5517   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5387    0.1992   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693   -0.0387    0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7463    1.1119    0.5971 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    1.1123    0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7664   -0.5390    0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6827   -1.6307   -0.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7782    0.6658   -1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -0.7537    1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449    0.3899    0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  3  1  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
  3  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers