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
-2.3799 0.5847 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0102 -0.8731 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6594 -1.1908 -0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4348 -0.3914 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6068 -0.3969 1.2879 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2880 0.3732 -0.7276 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3158 1.1292 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5514 0.7052 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1156 0.8148 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4494 0.7294 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 1.2837 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0574 -1.1000 1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7612 -1.4866 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6874 -1.0622 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5187 -2.2951 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0850 2.1408 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3257 1.3313 0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8726 -0.2962 -0.3646 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