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
-2.8071 0.2922 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3244 0.3161 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6168 -0.6896 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8252 -0.6869 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4591 -1.6659 0.7556 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4561 0.4110 -0.2733 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8759 0.4088 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2347 -0.1045 -1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1665 -0.3972 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1977 1.3040 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8497 1.1815 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1176 -1.5339 0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1497 0.0809 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2861 -0.3412 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2624 1.4249 -0.1525 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