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
-3.1270 -0.2892 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6809 -0.6033 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8198 0.3401 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6309 0.1309 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9541 -0.7808 0.8185 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6239 0.8613 -0.5532 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9748 0.7613 -0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6747 -0.0558 0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7790 -0.3148 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 0.7627 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5227 -0.9355 -0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5784 -0.5020 1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 -1.6659 0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0588 0.2292 -1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0653 1.3704 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5563 1.4945 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 -0.0108 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2074 -0.7926 0.9230 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