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
2.4969 -0.3688 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3782 0.6075 -0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0967 -0.0835 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0107 -1.2511 0.1022 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0769 0.6127 -0.6016 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2877 -0.0015 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8367 0.1203 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4886 0.0093 -0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3840 -0.5582 0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2563 -1.3083 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 1.5440 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4519 0.9044 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7290 -0.5693 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3537 0.6923 1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7740 -0.3499 1.0549 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