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
-2.8089 -0.2088 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3297 -0.2641 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 0.7796 -0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8249 0.7538 -0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5149 1.7383 -0.9594 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4473 -0.3727 -0.1594 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8455 -0.5342 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1038 0.8444 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2767 -0.8661 0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1230 -0.5111 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8012 -1.1296 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1601 1.6598 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1324 -1.3172 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4063 0.3955 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0608 -0.9677 0.9541 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