Monomers
CID 85622357
Identifiers
IUPAC name
methyl 2-(propan-2-yloxymethyl)prop-2-enoate
InchI
InChI=1S/C8H14O3/c1-6(2)11-5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
AUSGESVXHJQSRC-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)COC(C)C
Canonical SMILES
CC(C)OCC(=C)C(=O)OC
Isomeric SMILES
CC(C)OCC(=C)C(=O)OC
Resources
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
1.1406
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
4.5259 -0.5339 -0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1605 -0.8558 -0.4681 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2689 0.0786 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6769 1.2419 0.2168 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8600 -0.2817 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5105 -1.5098 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0327 0.8094 0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2630 0.6419 1.0883 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0787 0.2990 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9962 -0.8169 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9780 1.5003 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0097 -1.4523 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5992 0.3065 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9633 -0.1600 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4713 -1.8847 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2475 -2.2131 -0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1115 1.6893 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5546 1.1378 1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4831 0.1183 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9805 -0.4352 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0358 -1.5182 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5897 -1.4081 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4029 2.2805 -0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7070 1.0886 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5352 1.8777 0.5220 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
8 9 1 0
9 10 1 0
9 11 1 0
1 12 1 0
1 13 1 0
1 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
9 19 1 0
10 20 1 0
10 21 1 0
10 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