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
-3.0891 0.0905 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6076 -0.0049 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8581 -0.3935 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6093 -0.5103 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0018 -1.2345 -0.8387 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 0.1395 0.8708 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9026 0.0352 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5963 0.8049 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5123 -0.9100 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3254 0.6526 0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5437 0.6295 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2444 1.0116 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4091 -0.7204 -1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1310 0.2988 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2149 -1.4178 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4552 -0.7382 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1620 1.6076 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6656 0.6595 -0.2623 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