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
4.1929 0.6845 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3294 -0.2834 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1383 0.0078 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9319 -0.2021 -0.1079 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2602 0.0342 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2094 0.4195 1.7630 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 -0.1482 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6469 0.1937 0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 -1.5487 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 0.8517 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0395 1.6574 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0585 0.4931 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4606 -1.2954 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1645 1.0579 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1519 -0.6125 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3347 1.1511 1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6696 -0.6100 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6233 0.3234 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1731 -1.6235 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8292 -1.6405 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4934 -2.2658 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8852 0.7538 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6316 1.8645 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 0.7376 -1.6727 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