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
3.1317 -0.8567 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 0.2967 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8677 0.0157 -0.0431 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0486 1.0204 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3194 2.1323 -0.7383 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4770 0.8343 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9361 -0.3081 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 -0.4794 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6245 -1.7907 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8635 -0.5291 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7806 -1.0847 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4841 1.2083 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2753 0.5513 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1842 1.6312 -0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2224 -1.0955 0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5775 -1.4486 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9630 -0.4209 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7859 0.3235 1.3752 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