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
-2.9067 0.4072 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4083 -1.0207 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0337 -1.0309 -0.5913 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1611 -0.2554 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6236 0.4493 1.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2460 -0.2448 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0837 0.5026 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5113 0.4727 0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2158 0.9879 -1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0349 0.9186 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8838 0.3565 -0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5535 -1.4061 0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9311 -1.7164 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5917 -0.8522 -1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7154 1.1166 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6504 1.0799 -0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1896 0.8239 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7644 -0.5887 -0.1120 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