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
-3.5555 0.0298 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1636 -0.0621 1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1799 0.0283 0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1609 -0.0354 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5228 -0.1775 1.4874 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1990 0.0537 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 -0.0102 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5063 0.0851 -1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9627 -1.0090 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2576 0.5010 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6227 0.5186 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0290 0.7666 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9997 -0.9992 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8925 0.1742 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8038 -0.1337 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5173 0.0219 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3472 -0.7895 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3429 1.0375 -2.0703 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