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
    1.4834   -0.0672    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940    0.4314   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3419   -0.1500   -0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5403   -0.0956    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055   -1.2703   -0.2550 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767    0.3989    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854   -0.9326    1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2997    1.3034   -0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843   -0.0422   -1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4784    0.1986   -0.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3889    0.2255    1.1199 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