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
-2.9595 0.4110 -0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1811 -0.7861 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 -0.6615 0.0555 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1300 0.3832 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7832 1.1889 1.3725 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3161 0.5283 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9750 -0.3252 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4283 -0.1702 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7751 0.6175 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3389 1.3035 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4178 0.2025 -1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5908 -1.6710 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3854 -0.9989 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8068 1.3762 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4660 -1.1341 -0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5629 0.5735 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9435 -1.1259 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8580 0.2883 0.4833 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