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
-2.4562 0.3153 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0357 -0.8143 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6502 -1.2661 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2708 -0.1146 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1554 1.0019 0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6321 -0.1994 -0.3204 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4566 0.9129 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7394 0.8170 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7481 1.1716 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6331 0.6184 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3044 -0.0176 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7751 -1.6377 0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9676 -0.4784 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6050 -1.6703 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3303 -2.0425 0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0251 1.8674 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3997 1.6567 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1376 -0.1204 -0.7526 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