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
3.0765 0.1900 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2096 0.0432 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 0.0238 0.1746 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1303 -0.1047 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2291 -0.1993 2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5444 -0.1284 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8675 -0.0283 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3211 -0.0574 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1938 1.2463 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0933 -0.2284 -0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -0.3722 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3919 0.8927 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4978 -0.8997 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2769 -0.2324 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1315 0.0709 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5093 0.8073 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4835 -1.0377 -1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9579 0.0142 0.0320 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