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
-1.9155 0.0283 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8816 -0.2921 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0656 0.6414 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3540 0.7160 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7657 1.7907 -0.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2595 -0.3177 -0.8464 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5791 -0.1290 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9861 -0.3673 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2446 -0.7217 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5876 1.0547 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9283 -0.1331 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9201 -0.2867 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5037 -1.3169 -0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 0.2315 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4721 1.6617 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2775 0.2371 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3354 -0.7335 1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0226 -0.1990 1.0686 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