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
    1.8286    0.2371   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -0.1793    0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800   -0.5305   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    0.2950    0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    0.3931   -1.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.4997    0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7262    0.3145   -1.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -0.2704    1.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118   -1.6141   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911   -0.3083    0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5041    1.1632    0.8474 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