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
    1.8000   -0.2847    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691    0.3887    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609    0.3461   -0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106    0.0487   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308   -1.0651   -0.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471   -0.8832   -0.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -0.2423    1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    0.9516    1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222    0.7733   -1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5616    0.0869   -0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9943   -0.1199    0.8694 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