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
3.1211 0.6532 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0725 -0.0773 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4451 -0.9288 0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7278 0.0991 -0.2403 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1949 -0.6622 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5979 -0.3225 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4142 -1.2424 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1023 1.0655 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0504 0.0659 -0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3616 1.6407 -0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7703 0.7958 -1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0015 -1.7222 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0090 -0.4654 1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0567 -2.2518 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4270 -0.9820 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2383 1.5781 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4242 1.6774 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1009 1.0790 0.8641 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