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
    1.8803    0.5916    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5729    0.6457   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171   -0.5138    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6905   -0.5224   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -0.1601    1.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714    1.3984   -0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2816   -0.3354    0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579    1.5700   -0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124   -1.4615    0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -1.4793   -0.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    0.2669   -0.9449 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