Monomers
2-Propenyl trimethylacetate
Identifiers
IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
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
24 23 0 0 0 0 0 0 0 0999 V2000
4.2558 0.3330 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2982 -0.4483 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1060 0.1479 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 -0.2091 -0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3122 0.2457 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 0.9895 -1.5779 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5929 -0.0734 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7564 0.5777 -0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.5188 1.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7855 -1.5620 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1720 1.3949 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1280 -0.1083 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3573 -1.5425 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2277 1.2460 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0396 -0.2049 -1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0381 1.5568 -0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6742 -0.0448 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5106 0.7834 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5909 1.6299 1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4718 0.3438 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2897 0.1566 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7412 -1.6953 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9883 -1.9224 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8723 -2.1132 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 9 1 0
7 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers