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
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
1.5691 -0.2497 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7733 0.7192 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6321 0.4653 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -0.5428 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 -0.7995 -0.9946 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5915 -0.0056 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1927 -1.2623 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1485 1.7294 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2374 1.3400 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6940 -1.1190 1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3569 -0.2748 0.6305 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