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
-3.1483 -0.2915 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7220 -0.5130 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7888 0.5506 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5882 0.1879 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 -0.8432 -0.7618 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6676 0.9911 0.2409 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9334 0.6531 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7521 -0.1031 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4817 0.7452 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3955 -0.7933 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7762 -0.8543 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6109 -0.5640 -1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3961 -1.4767 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0754 1.5209 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7994 0.6033 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2606 1.0288 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4417 -0.4991 1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7305 -0.3425 0.1487 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