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
-2.6820 -0.2349 0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2914 -0.0980 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2665 -0.4095 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0633 -0.4409 0.7929 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9235 -0.1544 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 0.2498 -1.2578 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4254 -0.2787 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3072 0.3914 -1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4290 -0.4676 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6114 -1.1163 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8915 0.7089 1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5473 -0.7615 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7567 -0.3520 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6583 -1.2383 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9329 0.5189 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9782 -0.3747 -1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3893 0.5768 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8714 1.3970 -1.3177 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