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
4.8040 -0.7358 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6156 0.0031 -0.4545 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 -0.4786 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3718 -1.5893 0.5564 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1378 0.2372 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 1.3853 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1677 -0.3403 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2275 0.4941 -0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3913 -0.0990 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0944 0.7665 1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3210 -0.3871 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5470 -0.4258 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -1.8109 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2437 -0.4280 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2487 1.9155 -1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 1.7990 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3619 -1.3283 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1349 -0.4125 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1937 -1.0720 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4618 0.7730 2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0285 0.2123 1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2845 1.7817 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9685 -1.2348 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9480 0.5034 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6577 -0.6714 -1.7233 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