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
2.9754 0.8865 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5100 -0.4506 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1337 -0.4767 -0.6496 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1316 -0.2397 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4594 0.0206 1.4453 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2493 -0.2991 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2041 -0.0710 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6129 -0.1340 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1624 1.6318 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7975 1.2533 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4178 0.7545 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 -0.7119 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7143 -1.2447 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4600 -0.5264 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9890 0.1571 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6812 0.1230 -0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9305 -1.2025 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2124 0.5296 0.8691 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