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
-1.4080 0.7549 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8616 0.1197 -0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2916 -0.7797 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4358 -0.1545 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4627 -0.6381 -1.0576 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0619 0.6541 1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2421 1.4098 0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2599 0.2713 -1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0160 -1.8181 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0780 -0.7597 1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5494 0.9402 0.3092 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