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
-2.4743 -0.0689 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8865 0.8928 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4954 1.2953 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 0.1188 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0704 -1.0138 -0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7470 0.2011 0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5961 -0.8915 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2332 -1.2800 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3887 0.3391 1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7404 -1.0188 0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6937 -0.3135 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5219 1.7934 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8739 0.4175 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1225 1.9614 -0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4367 1.8669 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7260 -1.4176 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1060 -0.7601 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8867 -2.1221 -0.7032 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