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
1.7915 -1.6094 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7989 -0.2275 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7857 0.6066 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7272 1.9758 0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4272 2.4635 1.4016 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2262 2.6891 -0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7628 1.8250 -1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3468 2.0621 -2.3067 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5353 0.4483 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6310 0.1604 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3697 -1.1099 1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6879 -1.7547 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8812 -2.3701 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 -1.8090 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6953 0.0771 0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5097 -0.3019 -1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5942 0.0444 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7193 1.0432 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3568 -1.9501 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4338 -1.0247 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 -1.2381 1.7619 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