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
-2.2076 0.5954 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8090 -0.8107 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5682 -1.2390 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4860 -0.2622 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2376 0.9503 0.0136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8269 -0.6342 0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8234 0.3410 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3267 0.7214 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 1.2609 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9826 1.0386 -0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5806 -1.5473 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3281 -2.2945 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5247 0.9696 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7769 -0.1355 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9252 1.0462 0.6677 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