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
-2.2537 -0.9076 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9275 0.1311 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 1.1340 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2853 0.3482 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2578 -0.3162 1.0849 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4230 0.3160 -0.7481 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5567 -0.4181 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4872 0.1675 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4440 -1.6592 0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4911 -0.4195 1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1549 -1.4559 -0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8407 0.6472 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4888 -0.4151 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3205 1.6344 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6334 1.8255 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 -1.4471 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3834 1.1892 0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3875 -0.3542 0.6193 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