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
   -1.9477    0.1407   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400    0.4532    0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -0.4619    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.0267   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3712   -0.4801    1.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1587   -0.8041   -0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907    0.8106   -0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5944    1.4035    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1849   -1.5123   -0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -0.6420   -0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568    1.0658   -0.0805 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