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
-2.2229 0.6302 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1221 -0.2803 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7980 -0.0749 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3453 -0.3877 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0849 -0.7564 0.7818 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6554 -0.2817 -0.7717 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7419 -0.5529 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3215 0.3631 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3358 1.2538 0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2816 -0.0211 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1216 1.2647 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9119 -0.0380 -1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 -1.3522 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6463 0.9736 -1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -0.7412 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1478 -1.5504 0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9259 1.3881 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1588 0.1634 1.3927 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