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
    1.8489   -0.5110   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6771   -0.3890    0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2882    0.5991   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    0.1752   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1469    1.2527    0.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1072    0.0927   -1.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583   -1.2227    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4128   -0.9858    1.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227    1.1730   -1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4036    0.4818   -0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090   -0.6661    0.6265 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