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
    1.8228    0.1840    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    0.6372   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3808   -0.3301   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7199   -0.1425   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8603   -1.1762    0.6261 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0184   -0.8681    0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.8618    0.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4972    1.7128   -0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957   -0.9435   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6148   -0.6493   -0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204    0.7139    0.6453 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