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
3.5882 0.1243 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4771 -0.3021 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 0.7799 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8533 1.0433 -0.8823 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2103 -0.0207 -1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9006 -0.5662 -0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8547 -1.8107 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 0.2597 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0881 1.4825 -0.6734 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1052 -0.1828 0.4443 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2122 0.6269 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5283 0.3094 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7621 -0.7068 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 1.0528 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0822 -1.2988 0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8855 -0.3622 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 0.5433 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9399 1.7060 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8904 -0.8223 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2557 0.3826 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -2.4261 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 -2.2497 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5163 1.2697 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9856 1.2322 1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0652 -0.0640 0.9648 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