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
    1.5718    0.3937    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438   -0.6723   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929   -0.6720    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871    0.5418   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129   -0.6210   -0.8966 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6429    0.4542   -0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1261    1.2671    0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -1.5475   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9661   -1.3267    1.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1673    0.8313    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334    1.3513   -0.7069 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