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
4.1388 1.3656 -0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3819 0.1955 -0.4117 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 0.3201 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5330 1.4659 0.0449 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2568 -0.8779 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7877 -2.0697 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1705 -0.7601 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9105 -0.1124 -0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2258 -0.0363 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1265 -0.7541 -0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7222 1.3993 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 2.1369 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6324 1.6962 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9625 1.1778 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8210 -2.2023 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1880 -2.9381 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 -0.1373 1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6412 -1.7191 0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3246 -0.5041 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6835 -0.7309 -1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3403 -1.7940 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1136 -0.2508 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1594 2.0013 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8090 1.3346 0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6789 1.7940 -0.9711 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