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
-2.9846 0.1269 0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 0.3263 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -0.2536 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5788 -0.1371 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1638 -0.5891 -1.5621 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3605 0.4365 0.4473 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 0.5222 0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4901 -0.4386 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1166 -0.9848 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 0.5956 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5130 0.5526 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0733 -0.1370 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2711 1.4269 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3980 0.2535 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1337 -1.3448 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1775 1.3786 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 -1.3255 1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5750 -0.4085 0.7497 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