Monomers
3-Ethyl-4-ethylideneoxolane-2,5-dione
Identifiers
IUPAC name
3-ethyl-4-ethylideneoxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,6H,4H2,1-2H3
InchI Key
JPQAIRCYDQEYKM-UHFFFAOYSA-N
SMILES
CC=C1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(=CC)C(=O)OC1=O
Isomeric SMILES
CCC1C(=CC)C(=O)OC1=O
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
1.0423
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
-2.4008 -1.2418 0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0561 0.1846 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9207 0.7162 0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4664 2.0884 0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8893 2.9040 1.4974 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5121 2.3809 -0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7070 1.2688 -1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2201 1.2380 -2.2997 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2047 0.1078 -0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3145 -0.3106 0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4107 -0.9159 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0800 -1.9174 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4976 -1.3509 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9661 -1.5169 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8085 0.7407 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0980 -0.7373 -0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7476 0.5789 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9682 -1.0113 1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9471 -1.5282 -1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0851 -0.1251 -0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0663 -1.5529 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
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
1 14 1 0
2 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