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
-2.0603 1.1984 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1239 -0.2648 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9008 -1.0197 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3392 -0.5069 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2255 0.4693 -0.9369 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 -1.0492 0.0986 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 -0.5347 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3824 0.4288 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0677 1.5527 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8490 1.4908 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3625 1.7581 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3604 -0.4445 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9821 -0.6973 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8224 -1.0788 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0240 -2.0692 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0032 -0.9284 -1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0773 0.8376 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2631 0.8579 -0.3902 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