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
-3.0440 -0.4177 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5787 -0.3482 0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7527 0.0452 -0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6935 0.1090 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4868 0.4154 -1.4601 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1828 -0.1506 0.6824 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4871 -0.1019 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5449 0.1839 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1577 -0.5468 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5517 0.5260 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5022 -1.3100 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2540 -1.3760 0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3774 0.3125 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8492 -0.7567 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1263 0.9896 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6485 -0.3547 2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6140 0.4496 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5363 0.1665 0.8224 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