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
3.1944 0.4707 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2453 -0.5103 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8881 -0.1393 -0.1351 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 -0.9417 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1904 -1.9898 -1.2393 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5517 -0.6209 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9355 0.4725 0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3734 0.7813 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0512 0.5363 1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2239 0.1184 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0284 1.5093 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3822 -1.4814 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4860 -0.6616 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 -1.2674 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1989 1.1450 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9885 -0.1608 0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7187 1.3702 -0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4935 1.3696 1.2294 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