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
-3.4996 0.2079 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3392 -0.6786 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1575 0.0080 -0.3037 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0891 -0.5242 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 -1.6627 -1.0931 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2623 0.2757 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4936 -0.1619 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6283 0.7131 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4258 0.3468 0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4111 1.2039 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4543 -0.2404 -0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3841 -1.5757 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4565 -0.9237 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1310 1.2474 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6986 -1.1248 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 0.8109 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4981 1.7541 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5912 0.3239 -0.4349 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