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
4.0457 -0.1030 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8998 0.2231 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0224 -0.7608 1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 -0.8305 0.5174 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1227 0.2469 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 1.3375 0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4766 0.1701 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2554 -0.8745 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4037 -0.2296 -1.6208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2187 1.4734 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4029 -1.1386 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6910 0.6115 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5921 1.2547 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9625 -0.6101 2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4625 -1.7893 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7520 -0.3579 1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0115 -1.3732 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5496 -1.6053 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2756 0.0926 -2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5032 0.2605 -2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2605 -1.3302 -1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2887 1.2664 -0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1299 1.8071 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8436 2.2594 -0.6995 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