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
2.8070 2.0035 -0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7998 1.0410 -0.8291 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8780 -0.1578 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8269 -0.3334 0.6497 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9001 -1.2004 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0019 -2.3212 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2331 -1.0000 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0259 0.0800 -0.9345 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5738 -0.0739 0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0894 -0.0800 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1507 1.0126 1.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4827 3.0146 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1249 1.9833 0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6624 1.7266 -1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8106 -2.4771 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 -3.0970 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2141 -0.8694 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8973 -1.9037 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2342 -1.0390 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4222 0.1765 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4628 0.6111 -0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4973 -1.0827 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9908 0.6324 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9562 1.7948 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 1.5591 0.9259 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