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
-3.2192 0.2433 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 -0.4014 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 0.5510 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5250 -0.1755 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4691 -1.4144 0.2839 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7618 0.4298 0.1355 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8875 -0.3465 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0988 0.1485 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1211 1.1550 -0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9730 -0.4565 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5983 0.6122 0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9193 -0.8640 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7364 -1.1762 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8621 1.4089 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6480 0.9961 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7833 -1.4246 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2447 1.1984 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9366 -0.4841 0.5972 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