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
-2.3184 -1.0404 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0687 0.4350 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9568 0.7717 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 0.1414 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3928 -0.5687 -0.5256 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4976 0.3239 1.2473 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7198 -0.2549 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5762 0.3471 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9738 -1.4576 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4147 -1.2093 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8137 -1.5558 0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9757 0.9594 0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8392 0.8406 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7777 1.8662 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1794 0.4412 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9499 -1.2366 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3452 1.3168 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4981 -0.1200 -0.1614 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