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
3.0243 0.4377 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5546 0.6286 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7575 -0.4006 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1643 -1.7973 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3074 -2.2530 -0.3621 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0776 -2.4270 0.5078 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9898 -1.5306 0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9343 -1.7514 1.4398 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7275 -0.4386 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 0.8783 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7995 0.9105 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3759 -0.0330 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 1.3666 -0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2971 -0.2662 -1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1702 1.6159 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0710 -0.7066 -1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9216 1.1331 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9682 1.6768 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3234 0.3475 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1201 1.9833 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1185 0.6260 1.1848 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