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
-0.9136 2.6965 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 1.5916 -0.6542 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4349 0.2900 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6320 -0.1672 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8521 -1.5649 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6983 -0.6061 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6076 -1.8059 0.2412 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9582 -0.1265 -0.4176 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1414 -0.8839 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 3.6458 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 2.7920 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0155 2.5244 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4669 0.5002 -0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3756 -1.7255 1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -2.3167 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9531 -1.7179 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9649 -1.8989 -0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9088 -0.3389 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5338 -0.8881 0.6997 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