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
-2.9433 -0.1525 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3784 -0.6089 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0911 0.0205 -1.0554 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1100 -0.2295 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4241 -1.0201 0.8265 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2137 0.3677 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 0.0854 0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4454 0.6630 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0326 0.0905 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4414 0.7928 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8016 -0.9308 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2024 -1.7224 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0034 -0.3791 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5054 1.0438 -0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8174 -0.5885 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8376 0.7745 -0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1688 0.0879 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3503 1.7058 1.1721 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