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
-1.4033 1.4425 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4238 -0.0360 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 -0.7065 0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 -0.0013 0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1104 -0.6113 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1076 -1.8658 0.4857 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3748 0.1895 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7256 -0.7431 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9178 1.9043 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7614 1.7515 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4069 1.8488 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3654 -1.7749 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2979 0.9915 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2256 -0.4377 0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4519 0.7072 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4678 -0.0796 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 -1.7031 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0733 -0.8760 -1.0900 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