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
-2.9568 0.1234 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6275 0.5555 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5724 -0.1655 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7761 0.1908 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0486 1.2023 0.9928 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8014 -0.6462 -0.0734 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1617 -0.4378 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3457 -0.7067 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9653 -0.2405 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6443 0.9914 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4708 1.4471 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7168 -1.0639 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6767 -1.4113 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 0.3731 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2201 -0.2117 1.3272 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