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
3.7613 -0.4000 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8533 0.3742 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0482 1.3715 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6555 1.1559 0.1478 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0312 0.0258 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7627 -0.8490 -0.8511 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4242 -0.2154 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7606 -1.5479 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8347 -0.2419 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2049 0.8397 -1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3398 -1.1277 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9257 -0.2923 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7057 0.2449 1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3331 2.3877 0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3068 1.3334 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8527 -1.5769 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4701 -2.3673 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2519 -1.6615 -1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1054 0.3630 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8405 0.2017 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8076 -1.2602 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2387 0.8226 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7598 1.8539 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1723 0.5657 -2.0800 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