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
2.4059 0.8403 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7443 0.3944 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3647 0.0961 0.4126 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0410 -0.8926 -0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8465 -1.5068 -1.1124 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4147 -1.2654 -0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3855 -0.6631 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1623 0.4238 0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7090 1.1606 -1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0637 0.0709 -1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0528 1.7061 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9180 1.1160 1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2537 -0.5549 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6467 -2.0401 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4228 -0.9633 -0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5399 -0.0308 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1112 0.8141 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 1.2947 0.4636 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