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
-2.7402 -0.6620 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2794 -0.5027 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7650 -0.2618 0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 -0.0999 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0750 0.1248 2.0304 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5471 -0.1925 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9536 -0.0442 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9087 -1.3392 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1508 -1.0607 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2126 0.3138 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -0.5886 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4444 -0.1846 1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2091 0.1037 1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4312 -0.9923 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2711 0.8258 -0.5777 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