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
-2.1545 0.8014 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5933 -0.4101 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2084 -0.7013 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0647 -1.3116 1.0892 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 -0.2490 -0.7816 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1445 -0.4536 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8130 0.4221 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5340 1.6962 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1298 0.5933 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1988 0.9146 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2117 -1.2940 -0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6647 -0.2455 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 -1.3419 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3186 1.3039 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8497 0.2756 0.4338 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