Monomers
2-Methylallyl acetate
Identifiers
IUPAC name
2-methylprop-2-enyl acetate
InchI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
InchI Key
IVKYUXHYUAMPMT-UHFFFAOYSA-N
SMILES
CC(=O)OCC(=C)C
Canonical SMILES
CC(=C)COC(=O)C
Isomeric SMILES
CC(=C)COC(=O)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
1.1256
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
3.1315 0.5377 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.0208 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3291 0.1923 1.6177 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9834 -0.6039 -0.4771 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3125 -1.0811 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3116 -0.0563 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0571 1.2305 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7022 -0.5368 0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1977 1.5309 0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2922 0.7101 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8733 -0.1122 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6988 -1.6838 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2433 -1.8283 0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8914 1.9076 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1137 1.7128 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7445 -1.1179 1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0951 -1.1441 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3959 0.3216 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
5 12 1 0
5 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