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
-2.3045 -0.6414 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8631 0.8065 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 0.9487 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3209 0.1279 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3358 -0.5417 0.9225 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4378 0.0293 -0.9608 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5002 -0.7813 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4773 -0.2750 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4103 -0.7105 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7996 -1.1324 1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0644 -1.2176 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7988 1.3707 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4626 1.1695 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5140 2.0261 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2976 0.7616 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5532 -1.8183 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4427 0.7848 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2987 -0.9069 0.4243 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