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
3.1012 -0.0747 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2869 0.1527 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8910 0.0446 0.0821 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0473 0.2188 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4058 0.4820 2.2334 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4807 0.1141 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9542 -0.1603 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4276 -0.2649 -0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6951 0.5436 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2184 -1.1361 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1394 0.3074 -0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4564 1.2026 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6318 -0.5455 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1534 0.2634 1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3171 -0.3127 -1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6844 -0.9201 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8399 0.7589 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9212 -0.6739 0.3813 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