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
-1.7551 0.2303 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7608 -0.6147 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -0.3951 -0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5736 0.4415 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6582 -0.9416 0.1224 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6235 1.0971 -0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7032 0.0522 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 -1.4365 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4645 -0.2902 -1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2214 1.0600 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3093 0.7970 1.2364 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