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
-2.2176 0.6551 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8686 -0.7301 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6243 -1.0974 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4379 -0.1976 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2985 0.9951 0.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7771 -0.6548 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 0.2088 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9066 0.9304 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7111 1.3524 -0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3245 0.8031 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6276 -1.4397 -0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3845 -2.1144 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4778 1.0690 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5805 -0.4128 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2612 0.6329 -0.5496 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