Monomers
Vinyl propionate
Identifiers
IUPAC name
ethenyl propanoate
InchI
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
InchI Key
UIWXSTHGICQLQT-UHFFFAOYSA-N
SMILES
CCC(=O)OC=C
Canonical SMILES
CCC(=O)OC=C
Isomeric SMILES
CCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
1.0831
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
15 14 0 0 0 0 0 0 0 0999 V2000
2.4245 0.1313 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 0.0053 -0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1308 -0.4060 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0774 -1.4086 0.3298 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0100 0.3206 -0.7983 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3015 -0.0677 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8281 0.3567 0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7386 0.3262 1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0022 -0.7930 0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0583 1.0356 0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8585 -0.7995 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4743 0.9385 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9238 -0.7350 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8105 0.0763 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2461 1.0193 1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 3
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers