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
-3.0043 -0.0809 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3906 1.0519 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0092 1.2276 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1089 0.1948 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5929 -0.8795 -0.6765 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3037 0.2951 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0891 -0.7318 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5593 -0.6383 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1626 -0.9421 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3859 -0.4004 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0454 0.1989 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9573 1.9742 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 0.8934 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7004 1.2050 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7446 -1.6676 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0912 -0.2581 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7216 0.1551 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9709 -1.5973 0.5138 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