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
    1.8373    0.0572   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -0.0617    0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775    0.4944    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6284   -0.4135    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637    0.5802    1.1775 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8052   -0.3452   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.5574   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.5671    1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5469    1.3665   -0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -1.4229    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4544   -0.2451   -0.5561 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