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
-3.3561 0.5246 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8515 -0.5716 0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5121 -0.4387 1.0659 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4707 -0.3833 0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7910 -0.4590 -1.0530 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9303 -0.2437 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8970 -0.1938 -0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2706 -0.0565 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2723 -0.0028 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9241 1.5266 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4536 0.6247 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2563 0.3151 -1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4730 -0.6322 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 -1.5436 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1763 -0.1810 1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6719 -0.2552 -1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4801 0.0034 1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3020 0.0994 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0961 -0.0603 -1.8010 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