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
-2.9155 -0.3338 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4531 1.0806 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0402 1.0863 0.4988 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1897 0.2594 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7102 -0.4793 -1.0859 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2624 0.2387 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0741 -0.5361 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5136 -0.5200 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9090 -0.3419 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9217 -0.8802 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1919 -0.8731 1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9854 1.7876 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6249 1.3144 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 0.8888 0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6826 -1.1841 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7863 0.4964 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7782 -1.2521 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1433 -0.7517 -1.2374 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