Monomers
Ethyl Penta-2,4-dienoate
Identifiers
IUPAC name
ethyl penta-2,4-dienoate
InchI
InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,5-6H,1,4H2,2H3
InchI Key
MOJNQUDSDVIYEO-UHFFFAOYSA-N
SMILES
CCOC(=O)C=CC=C
Canonical SMILES
CCOC(=O)C=CC=C
Isomeric SMILES
CCOC(=O)C=CC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H10O2
Heavy Atom Count
9
Molecular Weight
126.155
Exact Molecular Weight
126.0681
Valence Electrons
50
Radical Electrons
0
tPSA
26.3
MolLogP
1.2917
H Bond Acceptors
2
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
19 18 0 0 0 0 0 0 0 0999 V2000
-3.2452 0.2828 -0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3871 0.7110 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0420 0.3763 0.4557 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.9155 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4135 -1.8453 0.2931 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8485 -1.1503 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7046 -0.1480 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1262 -0.3694 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9736 0.6389 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2862 -0.8002 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8337 0.7978 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2769 0.6931 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 1.8294 0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7924 0.3682 1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1745 -2.1755 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3394 0.8617 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4875 -1.3725 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0273 0.5501 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6030 1.6673 0.0312 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
8 9 2 3
1 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
2 14 1 0
6 15 1 0
7 16 1 0
8 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers