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
-2.2360 -0.1665 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1305 0.0442 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 -0.4607 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3462 0.1800 -0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 1.0537 0.4668 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5919 -0.1864 -0.8736 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7775 0.3181 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4245 -0.2300 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7377 0.6405 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7881 -1.1387 1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3047 -0.1794 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9665 -0.4981 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2917 1.1172 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9273 -0.2862 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7989 -1.5587 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2087 1.1790 -0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3779 0.1649 0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0511 -1.0957 1.0931 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