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
3.4427 -0.0251 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0355 0.4245 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 -0.4747 -0.2341 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2630 -0.1764 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5552 0.8724 0.5812 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3398 -1.0138 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5991 -0.7121 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0601 0.4993 0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4511 -0.7620 -0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0926 0.8311 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9081 -0.5283 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9275 1.4482 -0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9111 0.4949 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0926 -1.9127 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3971 -1.3722 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7071 1.4461 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6678 0.4159 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1652 0.5449 0.4300 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