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
-1.5644 -0.4267 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1165 -1.4934 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0033 -1.4659 -1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8966 -0.3356 -1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9841 -0.2409 -1.7381 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5537 0.7114 -0.2843 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3177 1.8641 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9027 -0.2690 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 0.5213 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5505 -0.7171 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 -2.3777 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2578 -2.2842 -1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3382 1.7597 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 1.9636 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 2.7904 -0.4703 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