Monomers
1,1-Dimethyl-2-acetoxyethylene
Identifiers
IUPAC name
2-methylprop-1-enyl acetate
InchI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h4H,1-3H3
InchI Key
MNJRLZXXSZEIHD-UHFFFAOYSA-N
SMILES
CC(=COC(=O)C)C
Canonical SMILES
CC(=COC(=O)C)C
Isomeric SMILES
CC(=COC(=O)C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4732
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
18 17 0 0 0 0 0 0 0 0999 V2000
-2.7087 0.8457 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3820 0.3708 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3531 0.2247 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8700 -0.2237 -0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9838 -0.4033 -1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9309 -0.1565 -2.2704 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2292 -0.8913 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 0.0527 1.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4954 0.5045 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7256 1.9523 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9396 0.3775 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4073 0.4413 -1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9908 -1.3744 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9223 -0.0317 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7437 -1.5695 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1474 0.2326 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9058 -1.0090 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3749 0.6573 1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
2 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers