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
-2.8679 0.6355 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2561 -0.7545 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8354 -0.6285 -0.5521 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2625 0.0267 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 0.4947 1.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1797 0.1954 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0400 -0.2591 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4825 -0.0557 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4600 0.8072 -1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5663 0.8021 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0729 1.4265 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5862 -1.3773 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6006 -1.2311 0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5730 0.7267 1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -0.7840 -1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7801 0.9081 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6812 -0.0347 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1007 -0.8979 -0.4297 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