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
-3.1552 -0.0360 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 -0.4532 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7426 0.2608 -0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6162 -0.1700 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7461 -0.9895 0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7768 0.3109 -0.8088 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0267 -0.0929 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6182 0.5913 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0996 0.3782 -1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8298 -0.9143 -0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5354 0.7913 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6114 -0.2709 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6150 -1.5595 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7989 -0.0291 -1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8397 1.3573 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5299 -0.9724 -0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1098 1.4482 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5795 0.3495 0.9924 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