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
    1.7874   -0.0159   -0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.3506    0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961   -0.4895    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5364    0.5679   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8553    0.1149   -1.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6248    0.1598   -1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    0.0883    0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8991   -0.5262    1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551   -1.5411    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2882    1.6275    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6213    0.3649   -0.0132 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