Monomers
Methyl 2-(propoxymethyl)prop-2-enoate
Identifiers
IUPAC name
methyl 2-(propoxymethyl)prop-2-enoate
InchI
InChI=1S/C8H14O3/c1-4-5-11-6-7(2)8(9)10-3/h2,4-6H2,1,3H3
InchI Key
OVZWLGCWEYISAY-UHFFFAOYSA-N
SMILES
CCCOCC(=C)C(=O)OC
Canonical SMILES
CCCOCC(=C)C(=O)OC
Isomeric SMILES
CCCOCC(=C)C(=O)OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O3
Heavy Atom Count
11
Molecular Weight
158.197
Exact Molecular Weight
158.0943
Valence Electrons
64
Radical Electrons
0
tPSA
35.53
MolLogP
1.1422
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
25 24 0 0 0 0 0 0 0 0999 V2000
1.6900 3.5676 -1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 2.7768 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2723 1.3540 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0089 1.2666 -0.9126 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4897 -0.0082 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7670 -0.7754 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6092 -0.3332 1.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2637 -2.1566 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 -2.6135 -1.1958 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5585 -2.9732 1.0222 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0312 -4.2876 0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 4.0581 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5136 4.3019 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8819 2.8834 -2.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1294 3.3179 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7849 2.7257 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5265 0.6499 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9166 1.0324 -1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1653 -0.6208 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 0.1190 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8362 -0.9712 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2877 0.6559 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7171 -4.9201 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1535 -4.2272 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7221 -4.8223 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 3
6 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
1 12 1 0
1 13 1 0
1 14 1 0
2 15 1 0
2 16 1 0
3 17 1 0
3 18 1 0
5 19 1 0
5 20 1 0
7 21 1 0
7 22 1 0
11 23 1 0
11 24 1 0
11 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers