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
-2.3380 0.2521 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7945 -0.1581 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5237 -0.3009 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5124 -0.0834 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1364 0.2659 0.9573 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8591 -0.2361 -0.4163 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8517 -0.0195 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4338 0.3263 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 1.2602 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0915 -0.5188 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 -0.3408 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1547 -0.6072 -2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4804 -0.9229 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5377 0.7795 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4145 0.3037 1.5368 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