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
2.3824 -0.1855 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3088 0.7419 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0473 0.4657 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3222 1.2685 -0.9903 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6677 -0.6929 0.1595 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 -0.9602 -0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9722 -0.5311 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 -0.3604 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3989 -1.1482 0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3742 0.2710 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0856 0.6018 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6320 1.7916 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 -1.5218 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0327 0.0264 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8472 -0.7443 -0.6765 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