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
-1.7411 -1.8823 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6025 -0.5367 -0.8726 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7867 0.3750 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3109 1.4588 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 2.4492 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 0.1290 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4299 0.9069 0.4701 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1831 -1.0516 -0.6418 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5739 -1.2380 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1348 -1.8760 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5172 -2.3337 -1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8123 -2.4671 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3893 1.5997 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2647 2.8992 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0067 2.0449 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1447 3.2981 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7918 -1.4459 0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9540 -2.0358 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0577 -0.2936 -0.8193 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