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
   -1.7137   -0.0465    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561    0.6076   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001   -0.0956   -0.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410   -0.1419    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025   -1.2994    0.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6374    0.4539    0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5986   -1.0808    0.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8462    1.6378   -0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850   -0.1556   -1.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.2463    1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243   -0.1258    0.0945 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