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
-2.9670 0.5694 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2890 -0.6722 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8813 -0.5941 -0.0239 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1653 0.3263 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8377 1.1186 1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2898 0.3979 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0474 -0.3957 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5125 -0.2657 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2340 0.4963 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9438 0.6648 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3851 1.4967 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7003 -0.9778 0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5620 -1.4856 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7556 1.1501 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6239 -1.1620 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0219 -1.2554 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8724 0.3911 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8422 0.1974 -0.9148 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