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
    1.8604    0.2781    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6096    0.6594    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3705   -0.1890   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6633   -0.4298    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064    0.3193   -0.9677 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1399   -0.6568   -0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6566    0.8254    0.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2784    1.5821    0.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0137   -1.0966   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8301    0.1757    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0883   -1.4679    0.1577 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