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
3.7972 -0.5077 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4135 -0.6398 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5081 -0.0547 -0.2495 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1231 -0.0104 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2134 -0.5322 1.0939 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7513 0.5967 -0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0462 0.7338 -0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8664 0.2715 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1994 0.4433 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5859 -0.4859 0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8172 0.3979 -0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9269 -1.4010 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1582 -1.7126 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 -0.1309 1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2587 1.0032 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5558 1.2206 -1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4374 -0.2290 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7805 0.0973 0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6038 0.9400 -0.6918 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