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
-2.4245 -0.5237 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0078 0.7100 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8198 0.4647 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3703 0.0105 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3609 -0.1417 -1.0422 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5622 -0.2663 0.8588 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6991 -0.6926 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6013 0.1198 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4114 -1.3718 0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5065 -0.3806 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8397 -0.7312 -1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8502 1.0062 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8475 1.5487 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5552 1.3974 1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 -0.3091 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8229 -1.7561 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4555 -0.2676 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5118 1.1834 -0.1998 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