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
1.9578 -0.1108 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7515 0.4440 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4922 -0.2969 0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 0.0362 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9283 -1.0602 -0.6072 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0213 -1.1676 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8292 0.5026 0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6432 1.5199 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7036 -0.6237 1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6434 0.9604 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7033 -0.2039 0.0831 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