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
3.0771 -0.2588 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4484 0.3966 0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0883 0.0441 1.0137 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1330 0.3131 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4824 0.9060 -0.9908 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2371 -0.1038 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1933 0.1211 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5807 -0.3127 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3260 0.5254 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9703 -0.8370 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 -1.0100 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9578 0.0521 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 1.5069 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 -0.6086 1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9533 0.6262 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1169 -0.5967 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1730 0.4863 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5999 -1.2502 0.3465 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