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
-3.0045 -0.5178 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4384 0.6193 0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0712 0.5302 1.0225 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1590 0.4688 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5838 0.4946 -1.1824 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2629 0.3761 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1772 0.3146 -0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5983 0.2222 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2528 -1.2921 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4266 -0.1453 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8818 -1.0064 0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0116 0.6675 1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6877 1.5877 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5660 0.3580 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8940 0.3315 -1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1541 1.1712 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1068 -0.5882 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7579 0.0292 0.7615 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