Monomers
Vinyl butyrate
Identifiers
IUPAC name
ethenyl butanoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
InchI Key
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
SMILES
CCCC(=O)OC=C
Canonical SMILES
CCCC(=O)OC=C
Isomeric SMILES
CCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4732
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
3.1319 0.3634 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6752 0.6503 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8233 -0.5034 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5894 -0.2241 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8607 0.8568 0.7039 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 -1.1127 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9117 -0.7002 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6786 -0.0025 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3657 -0.6304 0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2092 0.3529 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7926 1.1024 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 0.7876 1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3282 1.5737 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0829 -1.4427 0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9789 -0.7014 -1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2767 -0.9783 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6619 0.2878 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3982 0.3207 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers