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
-2.5253 0.4631 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9093 -0.5633 -0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6842 -1.1347 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3844 -0.1676 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2825 0.5659 1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5191 -0.0131 -0.4423 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5516 0.8761 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5630 0.4559 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6178 0.2534 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4413 1.4884 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0734 0.4129 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7042 -0.1073 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6227 -1.4141 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9521 -1.6203 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3375 -1.9658 -0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5598 1.8898 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3936 1.1200 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6139 -0.5394 0.9497 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