Monomers
CID 86152285
Identifiers
IUPAC name
3-ethenyl-4-ethyloxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,5-6H,1,4H2,2H3
InchI Key
OYYSZCVRQVKKMC-UHFFFAOYSA-N
SMILES
C=CC1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(C(=O)OC1=O)C=C
Isomeric SMILES
CCC1C(C(=O)OC1=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H10O3
Heavy Atom Count
11
Molecular Weight
154.165
Exact Molecular Weight
154.063
Valence Electrons
60
Radical Electrons
0
tPSA
43.37
MolLogP
0.8982
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6720 1.5033 -1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1216 0.3053 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9074 -0.4042 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5871 -1.7430 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8338 -1.8631 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6026 -2.7205 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6510 -2.1311 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6737 -2.7106 -0.4633 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5017 -0.7460 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5265 0.1135 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4372 1.5589 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 2.0311 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8432 2.0570 -2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8224 -0.1673 -2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 0.0819 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7004 -0.7760 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5250 -0.0447 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5295 -0.2492 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6616 1.8085 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1448 2.1124 -0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4237 1.9839 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
9 3 1 0
1 12 1 0
1 13 1 0
2 14 1 0
3 15 1 0
9 16 1 0
10 17 1 0
10 18 1 0
11 19 1 0
11 20 1 0
11 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers