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
2.5836 0.8527 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3059 -0.5580 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1312 -1.0935 -0.4871 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1367 -0.5405 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1328 0.4692 0.4827 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3351 -1.1082 -0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4962 -0.5508 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6337 0.6431 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2885 0.8577 -1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0975 1.4046 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7024 1.4493 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1471 -1.1925 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3221 -0.6148 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -1.9804 -1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4334 -0.9521 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0959 1.5337 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2973 0.4115 1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6968 0.9692 0.3446 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