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
    1.8624   -0.4132    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127   -0.1696    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085    0.6557   -0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7317    0.1472   -0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1241   -1.4013 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462   -1.0102    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813   -0.0030   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -0.5879    1.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    1.7522   -0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930    0.9366   -0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9540   -0.8448    0.1379 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