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
3.4140 0.0169 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0497 0.6462 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0931 -0.3993 -0.0924 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2713 -0.1347 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5992 1.0430 0.2267 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2657 -1.1934 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5581 -0.9396 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0303 0.4139 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7540 0.1866 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1414 0.4022 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3646 -1.0803 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9008 1.0816 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8864 1.4876 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9534 -2.2043 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2876 -1.7183 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7364 0.7737 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7426 1.1696 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1594 0.4486 0.1257 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