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
3.1498 -0.0964 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7648 0.3059 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7227 -0.1820 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 0.2313 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 0.8726 -1.0914 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 -0.0972 0.6955 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9635 0.2907 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6411 -0.4984 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8945 0.5244 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2050 0.0749 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3118 -1.1598 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6455 1.4038 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5009 -0.1412 -1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7565 -1.3028 0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9522 0.2298 1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3620 1.2344 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6341 -0.2222 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2798 -1.4678 -0.8921 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