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
-3.3570 -0.2576 0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8788 -0.3712 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1531 0.1437 -0.1266 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2511 0.0851 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7629 -0.4180 0.9820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0603 0.5934 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3663 0.5805 -1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1070 0.0226 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8558 -0.7407 1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7276 -0.7694 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6384 0.8184 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6092 0.1120 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6299 -1.4727 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 1.0119 -1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9041 0.9742 -1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8446 0.5915 0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8250 -1.0432 0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 0.1396 -0.2104 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