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
-3.0341 0.1034 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6036 0.3685 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7636 -0.8645 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6521 -0.6539 -0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9643 -0.7714 -1.4818 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6718 -0.3326 0.6156 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 -0.1490 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4049 1.0358 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7410 0.6952 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2239 -0.9613 0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1872 0.4761 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6336 0.5516 -1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1867 1.2731 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8787 -1.1688 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2081 -1.7168 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -0.9903 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4175 1.2145 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 1.8906 -0.1468 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