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
-3.0186 0.2488 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3990 -0.0779 -0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0563 0.3633 -1.0828 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1476 -0.1483 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5481 -0.9891 0.6946 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2557 0.2109 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0983 -0.2906 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5267 0.0707 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4447 1.1332 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8239 -0.6057 1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0996 0.4876 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4660 -1.1889 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9869 0.4260 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6121 0.9158 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7284 -0.9991 1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8347 0.3945 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1855 -0.7962 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7493 0.8449 1.5096 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