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
-2.1932 0.7307 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8515 -0.6773 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6439 -1.1602 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5018 -0.2918 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3339 0.9300 0.1582 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 -0.7871 -0.1457 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8581 0.1525 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7891 1.1375 1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3001 0.8745 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7820 1.3813 -0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6894 -1.3681 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4862 -2.2030 -0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8413 0.4358 1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5458 1.0739 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8404 -0.2289 -0.2884 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