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
    1.6682   -0.1824    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    0.5162    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907    0.6869   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799   -0.5981   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845    0.5015    0.5670 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4803   -0.6116   -0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399   -0.3295    0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    0.9349    1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5863    1.3293   -1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0732   -1.4760    0.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9825   -0.7712   -1.1774 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