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
-3.9641 0.7423 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1488 0.1940 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6912 0.5920 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3723 0.0088 -0.4257 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1107 0.1844 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9950 -0.4688 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8499 -1.2317 0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3477 -0.2375 -0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4926 0.4977 -1.6696 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4649 -0.7888 -0.0983 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7850 -0.5869 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7728 1.8396 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0225 0.5144 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6243 0.2805 -1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2489 -0.8948 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5127 0.6258 1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0266 0.4664 1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6852 1.7324 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0367 -0.1075 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1394 1.2952 -0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0569 -1.5166 1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7516 -1.6687 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1506 0.3493 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4600 -1.4107 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8370 -0.4109 -1.6455 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