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
3.4120 0.2316 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9971 0.6928 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1004 -0.3906 -0.0246 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2645 -0.1741 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6858 1.0073 -0.0434 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2005 -1.2638 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4878 -1.0814 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0737 0.2647 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5184 -0.8532 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0889 0.7718 0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7916 0.4786 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 1.4712 0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6213 1.1542 -1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8138 -2.2648 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1328 -1.9098 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9058 0.6872 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6992 0.9825 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1948 0.1957 0.4191 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