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
-3.1392 0.2012 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8308 -0.5080 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7184 0.4857 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6163 -0.0924 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 -1.2818 -0.5702 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7338 0.6723 -0.0435 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0269 0.2554 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6830 -0.2596 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0837 1.2075 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2045 0.3536 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0132 -0.3880 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6902 -1.4021 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7701 -0.8912 -1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9219 1.3551 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 0.8680 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4864 0.3598 -1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2057 -0.3514 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6934 -0.5843 0.6471 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