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
-1.9293 0.7117 0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8116 0.3803 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9327 -0.8280 -0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4543 -0.6103 -0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2416 -1.5641 -0.6392 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8648 0.5346 0.1382 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1128 0.7946 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1816 0.0587 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1064 1.2920 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1443 -0.2355 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8601 1.3384 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4912 1.2585 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8231 0.1121 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3835 -1.6710 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8994 -1.0161 -2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 1.8041 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1016 0.4216 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1946 -0.9231 0.2168 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