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
2.9636 0.5313 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 -0.8478 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1455 -1.0430 0.1521 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1565 -0.2367 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5138 0.6982 -1.1479 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2474 -0.4283 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1563 0.3703 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6001 0.2354 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5292 0.3790 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6032 1.0000 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1176 1.2211 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6670 -0.8939 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 -1.6412 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5170 -1.2248 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8574 1.1742 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8210 -0.3267 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0691 -0.2172 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0297 1.2502 -0.1835 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