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
-1.5308 1.5615 0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1183 0.6433 -0.3611 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2683 -0.4273 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7164 -1.6680 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 -1.9798 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1636 -0.2173 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9529 -1.1636 0.3392 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7275 1.0533 0.0192 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1069 1.2664 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6526 2.0939 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1538 2.3198 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1428 1.0701 1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0627 -2.4935 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6125 -1.1175 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6793 -2.0871 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2324 -2.9291 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7208 0.4764 -0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3428 2.2478 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 1.3507 1.2667 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