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
-1.3705 1.1237 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 -0.3601 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1949 -0.9885 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9817 -0.3489 0.6573 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9393 0.0076 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7271 -0.2721 -1.4668 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2012 0.7013 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5713 -1.1010 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3809 1.5256 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7474 1.5791 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0037 1.4203 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2201 -2.0814 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7488 1.0021 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8519 0.0009 0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9893 1.6325 0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4129 -0.7852 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8146 -0.8571 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4006 -2.1988 -0.1971 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