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
Resources
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
-3.0375 0.3025 0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4493 -1.0294 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 -1.0985 0.4149 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1202 -0.2349 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4979 0.6412 -0.8901 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2770 -0.2879 0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1249 0.5701 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5754 0.4994 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1219 0.1645 0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9802 1.0407 -0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 0.6720 1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9677 -1.8873 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5887 -1.1566 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6057 -1.0356 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 1.3431 -0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7761 -0.3067 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2006 0.3264 -0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 1.4771 0.5938 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