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
    1.5595    0.5442   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670   -0.3432    0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -0.6988   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    0.2888   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601   -0.4897    1.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856    0.8031   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140    1.0008   -1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5467   -0.7875    1.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844   -1.6552   -0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826   -0.0286   -0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3863    1.3661    0.0656 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