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
-2.4778 -0.0214 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9510 0.0580 0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6264 0.7858 0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3959 0.1133 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1954 -0.1462 -1.2011 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 -0.2311 0.5781 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5763 -0.8636 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4878 -0.1649 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5923 -0.1646 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2622 0.8843 -1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9931 -0.8856 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6843 0.5783 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8592 -0.9603 1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3211 0.9065 1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8071 1.8093 0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5751 -1.9380 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4967 0.9074 -0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2536 -0.6672 -1.3418 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