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
2.8010 0.2803 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6193 1.5357 -0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3461 2.1434 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2456 1.2939 -0.3933 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0980 0.1911 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0345 -0.0685 1.2268 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 -0.6866 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9086 -1.7810 1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 0.1956 0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3779 -1.2488 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0185 -0.4683 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8098 -0.0650 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4826 2.2076 -0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5386 2.6262 0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1310 2.9857 -1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0043 -2.3550 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6570 -1.3391 2.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7674 -2.4587 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2062 -0.3138 0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1694 1.1081 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 0.4499 1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8808 -2.2491 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4945 -1.3747 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1026 -0.6089 -1.5074 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