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
2.8629 0.7899 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4642 0.7376 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0721 0.7725 -0.6405 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2023 -0.1571 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6416 -1.1069 0.5296 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 -0.0356 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0699 -0.9379 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5228 -0.7939 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2549 -0.2055 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 0.9895 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6019 1.6000 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 1.6589 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9589 -0.1099 -0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6650 0.7860 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6977 -1.7776 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8405 0.1780 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0956 -1.6330 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7515 -0.7549 -1.1637 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