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
3.0472 0.5648 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8359 -0.3067 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6904 0.6289 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5625 -0.0864 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7273 -0.5487 -1.8004 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -0.2882 0.2713 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7651 -0.9584 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7730 -0.2166 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2680 1.1122 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7530 1.3100 1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9174 -0.0248 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6204 -1.0137 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0255 -0.8789 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5918 1.3415 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 1.2041 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8821 -2.0272 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6956 0.8488 -0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7318 -0.6608 -0.7471 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