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
-2.2097 0.3073 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8147 -0.5823 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6515 0.0537 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4752 0.1822 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5265 1.1601 0.3223 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4949 -0.7050 -0.3483 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5321 -0.6183 0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8398 0.2586 1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7938 1.3360 0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 -0.1712 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3145 0.4407 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6717 -0.6505 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5698 -1.6245 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3647 -0.4058 -2.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9669 1.1163 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2133 -1.4978 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7548 0.1042 2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3338 1.1630 1.6960 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