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
-2.1550 1.0993 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0703 -0.3757 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9020 -1.0060 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3920 -0.4518 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3868 0.4306 0.8691 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6163 -0.8344 -0.5058 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8581 -0.3838 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1808 0.5104 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9829 1.3501 -0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 1.6429 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2507 1.5565 -0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0253 -0.8293 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9949 -0.6147 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0779 -0.9035 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9287 -2.0893 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6736 -0.8869 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2393 0.7289 0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5028 1.0568 1.3465 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