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
-3.5538 0.2190 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3381 -0.6439 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1595 0.1301 0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0608 -0.4639 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0934 -1.6789 -0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2898 0.3480 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -0.1787 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6770 0.6791 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4401 -0.3437 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4259 1.1538 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5967 0.4192 1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3864 -1.0404 -0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3631 -1.4714 0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1978 1.3930 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6178 -1.2145 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4242 1.6894 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5298 0.2402 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8932 0.7636 1.0766 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