Monomers
Diethyl ethylidenemalonate
Identifiers
IUPAC name
diethyl 2-ethylidenepropanedioate
InchI
InChI=1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3
InchI Key
LBBAWVLUOZVYCC-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=CC)C(=O)OCC
Canonical SMILES
CCOC(=O)C(=CC)C(=O)OCC
Isomeric SMILES
CCOC(=O)C(=CC)C(=O)OCC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H14O4
Heavy Atom Count
13
Molecular Weight
186.207
Exact Molecular Weight
186.0892
Valence Electrons
74
Radical Electrons
0
tPSA
52.6
MolLogP
1.0589
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
27 26 0 0 0 0 0 0 0 0999 V2000
3.2066 -2.1716 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -1.9242 0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2928 -1.0357 0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4704 0.2678 0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6438 0.6652 0.1304 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3700 1.1760 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6510 2.4194 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4037 3.4088 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0153 0.7678 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9886 1.5070 0.0633 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2656 -0.5291 0.7012 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5879 -1.0014 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3701 -0.9193 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9995 -1.3946 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6845 -3.1716 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6209 -2.1022 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9960 -1.5565 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8961 -2.8722 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6812 2.7308 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0911 3.0644 -1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9448 3.5769 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0743 4.3751 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5118 -2.0831 1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0899 -0.4909 1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0302 -0.0421 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9540 -1.8549 -0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7013 -0.8097 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
7 8 1 0
6 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
7 19 1 0
8 20 1 0
8 21 1 0
8 22 1 0
12 23 1 0
12 24 1 0
13 25 1 0
13 26 1 0
13 27 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers