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
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
-4.7621 -0.5859 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5051 -0.6092 0.4025 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3796 -0.2297 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5406 0.1169 -1.5179 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 -0.2383 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9676 -0.6111 1.5664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0963 0.1778 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2187 0.0853 0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3876 0.4575 -0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2653 -0.8008 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0713 1.5824 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9630 -1.5485 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5246 -0.3944 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7321 0.2629 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0026 -0.6362 2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8729 -0.8968 2.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0043 1.2500 -0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1592 -0.4256 -1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1067 0.7368 -1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7603 -1.4894 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1712 -1.2835 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2853 -0.5883 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0455 1.2774 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4402 1.9627 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3086 2.4280 -0.3342 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