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
2.7452 0.7358 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3748 0.4196 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5720 -0.4077 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 -1.0962 1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8997 -0.8445 1.9617 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0261 -2.1017 1.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9031 -2.1090 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6964 -3.0582 0.2209 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -0.8488 -0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8511 0.0931 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7396 1.4733 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7197 1.5282 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3322 1.1484 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2606 -0.1755 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0533 0.9135 -1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9899 -0.9874 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8323 -0.3361 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8121 0.1580 1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2382 2.1896 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7694 1.8748 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 1.4308 -1.4023 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