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
-3.0935 -0.3689 0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 -0.5185 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7946 0.6454 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5173 0.3802 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 0.6542 -1.5886 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 -0.1575 0.3227 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 -0.4350 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7910 0.4408 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6771 -1.2363 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5275 0.5549 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0365 -0.3442 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7526 -0.5282 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2119 -1.4703 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 0.6568 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2444 1.5684 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9256 -1.4365 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7582 0.1924 -0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6343 1.4024 0.2620 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