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
3.6066 0.2988 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3507 -0.4460 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1846 0.2667 0.0246 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0486 -0.3075 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1147 -1.4405 -0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3077 0.3389 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4808 -0.2144 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7470 0.4499 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0277 0.8600 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5164 0.9220 0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3864 -0.4790 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3126 -1.4339 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3627 -0.6867 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2540 1.3071 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4879 -1.1972 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5830 -0.0408 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7781 1.5239 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9459 0.2786 1.2997 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