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
-1.4286 -1.2339 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 0.1717 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2984 0.6856 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8363 -0.0944 -0.1656 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0695 0.3095 -0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2062 1.4859 -1.0107 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2557 -0.5780 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6589 1.0187 0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 -1.8545 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6483 -1.3395 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4180 -1.5795 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 1.7030 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1803 -1.2771 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1835 0.0048 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3693 -1.1509 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5227 0.4268 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5166 1.8585 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8514 1.4433 1.3316 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