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
-3.0694 -0.2291 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7215 0.2241 0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7380 -0.0105 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6008 0.4349 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9501 1.6406 -0.1444 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4662 -0.5633 0.2889 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7333 -0.2508 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7698 -0.2035 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0439 -0.6535 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5169 -1.0127 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7303 0.6763 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7040 1.2804 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3579 -0.3991 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0917 0.5748 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7650 -1.1011 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8240 -0.0437 1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7313 0.0454 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6632 -0.4093 -1.1030 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