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
    1.7187    0.3565    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7863    0.1206   -0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4386   -0.6475   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6168    0.1324    0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7509   -0.5794    1.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.0111    1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6111    0.9082    0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733    0.4712   -1.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -1.6110   -0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6051   -0.3618    0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369    1.2220    0.3174 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