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
4.1135 1.2449 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8017 0.7156 -0.0839 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.6094 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4697 -1.4202 -0.3818 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 -1.0670 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8827 -2.3459 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0501 -0.0614 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2082 -0.6069 0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1293 0.4181 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1194 0.5105 -0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8193 0.1900 1.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0228 2.3545 -0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5997 0.9047 -1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6905 0.9847 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 -3.0394 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1257 -2.7025 -0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1878 0.5801 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0969 0.6128 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6068 1.3906 0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9465 -0.2451 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1371 0.3353 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1630 1.5494 -1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8354 0.6289 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1977 0.5827 2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9299 -0.9047 1.7496 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