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
-2.6586 -0.7719 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4386 -0.0578 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2621 -0.5551 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 0.1104 0.0773 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1516 -0.4078 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1768 -1.4953 -0.8545 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4111 0.2872 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5320 1.2160 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5626 -0.1393 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5798 -1.1931 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7926 -1.6733 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2209 -1.4941 -0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -0.0770 1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1409 0.1043 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2649 1.4048 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 1.7353 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9637 1.0925 1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2394 1.9141 0.1777 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