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
-2.7739 0.4728 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3056 0.3704 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6964 -0.4781 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7410 -0.6360 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2636 -1.4462 1.5972 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5140 0.1263 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9232 0.0591 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2454 -0.1748 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1425 1.5010 -0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2036 0.1316 0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7194 0.9732 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2875 -1.0927 1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2361 0.4816 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4039 0.6746 0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2924 -0.9627 0.0194 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