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
-2.8312 0.2044 0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3627 0.2849 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6307 -0.7896 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8199 -0.7307 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5509 -1.7312 0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4491 0.4652 -0.1903 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8353 0.5184 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2761 1.2071 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.4289 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9881 -0.2648 1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9088 1.2230 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0536 -1.7426 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1257 1.6018 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3823 -0.0246 0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1324 0.2075 -1.4224 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