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
-2.4367 0.7539 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9874 -0.1767 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7843 -0.9943 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3847 -0.1430 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3438 1.1132 -0.1457 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5584 -0.7455 -0.5734 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7127 -0.0463 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5593 0.2246 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5135 1.0040 -0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4341 0.1733 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 1.6930 -0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8206 -0.9009 0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8496 0.3514 1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0898 -1.5869 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5770 -1.6902 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9438 0.2768 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3911 -0.0707 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4720 0.7641 -0.1286 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