Monomers
Methyl crotonate
Identifiers
IUPAC name
methyl (E)-but-2-enoate
InchI
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
InchI Key
MCVVUJPXSBQTRZ-ONEGZZNKSA-N
SMILES
C/C=C/C(=O)OC
Canonical SMILES
CC=CC(=O)OC
Isomeric SMILES
C/C=C/C(=O)OC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.7355
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
15 14 0 0 0 0 0 0 0 0999 V2000
2.8841 -0.1575 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4140 -0.3168 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6288 0.7335 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8112 0.6661 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4890 1.7128 -0.3572 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5255 -0.5186 -0.0736 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9556 -0.5307 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1778 0.8905 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3054 -0.5766 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3442 -0.7528 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9587 -1.2818 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0913 1.7132 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3791 0.3467 -0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2882 -0.4926 0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3558 -1.4357 -0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers