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
4.0473 1.5038 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7532 0.9322 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5342 -0.4104 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5279 -1.1718 -0.1655 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 -1.0140 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0487 -2.3181 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0602 -0.0880 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1635 -0.7235 -0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1469 0.2553 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0408 0.3313 -1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0169 -0.0210 1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9497 2.4081 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3323 1.8621 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7888 0.7873 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9292 -2.9361 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0866 -2.7888 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1355 0.3825 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2057 0.7057 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7197 1.2690 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5014 1.3423 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8724 -0.4026 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4381 0.2081 -2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3908 -0.0797 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6434 -0.9075 1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6764 0.8740 1.3710 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