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
-1.8583 0.8565 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0533 -0.5674 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1271 -0.7567 -0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2645 -0.5252 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 -0.2300 0.9936 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3583 -0.6267 -1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6588 -0.4151 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1463 0.8103 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3824 0.8223 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1721 1.4371 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 1.3719 1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.7017 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -1.2843 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2516 -1.7295 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4198 0.0284 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3133 -1.1827 -0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1511 1.0588 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5556 1.6340 -1.0784 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