Monomers
Methyl 2-methoxybut-2-enoate
Identifiers
IUPAC name
methyl (Z)-2-methoxybut-2-enoate
InchI
InChI=1S/C6H10O3/c1-4-5(8-2)6(7)9-3/h4H,1-3H3/b5-4-
InchI Key
XDAOZDBTFSSMBW-PLNGDYQASA-N
SMILES
CO/C(=C\C)/C(=O)OC
Canonical SMILES
CC=C(C(=O)OC)OC
Isomeric SMILES
C/C=C(/C(=O)OC)\OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O3
Heavy Atom Count
9
Molecular Weight
130.143
Exact Molecular Weight
130.063
Valence Electrons
52
Radical Electrons
0
tPSA
35.53
MolLogP
0.7096
H Bond Acceptors
3
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
19 18 0 0 0 0 0 0 0 0999 V2000
-1.4729 1.7611 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2005 0.4160 -0.3127 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0437 -0.1670 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7184 -0.0449 -1.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2446 0.6880 -2.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5931 -0.9047 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7224 -1.4640 0.6845 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1114 -1.0516 1.9173 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -1.7759 3.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5987 1.8535 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1445 2.0285 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1161 2.4440 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6959 -0.5031 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5966 0.1112 -3.6195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8573 0.7817 -2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6874 1.6833 -2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4431 -1.3371 3.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -2.8575 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2318 -1.6615 3.8685 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
3 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
5 16 1 0
9 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers