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
3.2357 -1.4033 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1715 -0.6167 -0.0845 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2920 0.7123 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3908 1.2679 -0.3212 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0859 1.3840 -0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2102 2.6518 -1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2048 0.6938 -1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6696 0.1967 0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8869 -0.4313 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9545 0.3584 0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 -1.8715 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0251 -1.5738 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8044 -2.3987 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6461 -1.0013 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1338 3.1986 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3439 3.1766 -1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 1.3880 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1599 -0.1700 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1778 -0.3799 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6634 0.5434 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9018 -0.2312 0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0515 1.3466 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9675 -2.1682 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2729 -2.1262 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5699 -2.5458 -0.5052 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