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
-3.1623 0.1319 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7803 0.5015 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8371 -0.6980 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4899 -0.1824 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5147 0.4019 1.7123 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6556 -0.3129 -0.1081 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8893 0.1277 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9321 -0.0196 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0460 -0.4464 -1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6446 -0.4910 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7296 1.0664 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7799 0.8716 1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3147 1.2760 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2080 -1.4975 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7630 -1.1328 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0982 0.6223 1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7607 -0.5121 -1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9250 0.2935 -0.3057 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