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
-3.0208 0.1455 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1595 -1.0466 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7671 -0.7593 -0.3430 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 0.2328 0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9067 0.8495 1.2224 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2344 0.5864 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0292 -0.0437 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4545 0.2983 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9439 -0.1547 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 0.8399 -1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3946 0.6481 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2830 -1.3459 0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 -1.9180 -0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6464 1.3726 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6425 -0.8415 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1240 -0.5544 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7389 0.5777 -1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6986 1.1133 0.0632 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