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
-2.9925 0.0980 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6257 0.2746 -0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.1519 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7485 0.0348 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9336 0.5973 -1.3839 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 -0.4188 0.3857 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1453 -0.2437 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2094 1.0459 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7644 -0.0358 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9553 -0.7334 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5348 0.7700 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6387 -0.6472 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4999 -1.1487 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2131 0.6653 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8712 -0.1062 0.6620 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