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
-2.4716 -0.0714 1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 -0.3497 1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6233 -0.4563 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 -0.3192 -1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7292 -0.4407 -1.4257 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6001 -0.0409 -2.4546 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7157 0.0087 -2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7167 0.5655 -2.5786 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7300 -0.7256 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8288 -0.2810 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 1.1833 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8070 0.8962 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6304 -0.0622 2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0673 -0.8773 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3430 -0.4685 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8692 -1.8091 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7874 -0.5811 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7250 -0.8558 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 1.5153 0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3524 1.4188 1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3696 1.7511 -0.3382 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