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
-2.7817 -0.5669 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -0.4542 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7101 0.6856 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 0.7805 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 1.8837 -0.1789 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4955 -0.3134 0.3398 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8802 -0.1388 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2777 -0.3893 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1395 0.2174 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9745 -1.5866 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7625 -1.3263 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2598 1.5517 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2506 -0.6568 1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3867 -0.5864 -0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1934 0.8996 0.5993 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