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
-2.9598 -0.3316 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1707 0.8947 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7982 0.5920 -0.5329 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2224 0.1695 0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9822 0.0782 1.6542 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 -0.1568 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0354 -0.0828 -0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4511 -0.4361 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2574 -1.1196 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5268 -0.6725 -1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6800 -0.0827 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 1.2727 -1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3794 1.6847 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5517 -0.4766 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7173 0.2308 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0765 -0.1071 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5906 -1.5341 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 0.0770 0.8723 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