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
-3.0262 -0.4260 -0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4836 0.5779 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1412 0.9265 0.1179 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 0.0124 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4055 -1.1776 0.4031 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2710 0.4441 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2432 -0.4497 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6374 0.0018 -0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1023 -0.2125 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5431 -0.3941 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9847 -1.4438 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 1.4907 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5961 0.1660 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4803 1.4789 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0279 -1.4905 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6838 0.2547 -1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7515 0.9706 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3950 -0.7293 -0.0183 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