Monomers
Ethyl crotonate
Identifiers
IUPAC name
ethyl (E)-but-2-enoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
InchI Key
ZFDIRQKJPRINOQ-HWKANZROSA-N
SMILES
CCOC(=O)/C=C/C
Canonical SMILES
CCOC(=O)C=CC
Isomeric SMILES
CCOC(=O)/C=C/C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
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
18 17 0 0 0 0 0 0 0 0999 V2000
2.3522 0.5722 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4132 -0.1333 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3238 0.2250 1.0185 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 -0.0190 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1315 -0.5627 -0.5026 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1317 0.3172 1.4176 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3615 0.0874 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6295 -0.5498 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1490 1.3351 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3478 -0.1269 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3892 1.1267 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2545 -1.2283 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3803 -0.0550 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 0.7894 2.3893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1693 0.3640 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.0857 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2297 -1.5682 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7407 -0.6596 -0.4430 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
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers