Monomers
Methyl 2-methoxyacrylate
Identifiers
IUPAC name
methyl 2-methoxyprop-2-enoate
InchI
InChI=1S/C5H8O3/c1-4(7-2)5(6)8-3/h1H2,2-3H3
InchI Key
BTTXESIFAHCXMK-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)OC
Canonical SMILES
COC(=C)C(=O)OC
Isomeric SMILES
COC(=C)C(=O)OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O3
Heavy Atom Count
8
Molecular Weight
116.116
Exact Molecular Weight
116.0473
Valence Electrons
46
Radical Electrons
0
tPSA
35.53
MolLogP
0.3195
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
16 15 0 0 0 0 0 0 0 0999 V2000
2.7020 0.6172 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7165 -0.3859 0.1242 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3949 0.0474 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 1.2718 0.1442 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7139 -0.8839 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4355 -2.1581 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0201 -0.4460 -0.1858 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3931 0.9090 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8266 0.9084 1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6440 0.1999 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4320 1.5069 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5706 -2.5193 -0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2302 -2.8649 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0946 1.2425 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0164 1.5804 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5036 0.9744 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
5 7 1 0
7 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
6 12 1 0
6 13 1 0
8 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers