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
Resources
cid=

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
    3.3108    0.5929   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992   -0.2836   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921   -1.5324   -0.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8282    0.2302    0.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808   -0.6211    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523    0.0754    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6236    1.3922    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8201   -0.7016    0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1206    0.0287    0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1673    1.5388    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6612    0.7316   -1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -1.4541    0.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.1157   -0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5633    1.9053    0.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6950    1.9510    0.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7901   -1.4610   -0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7115   -0.0579    0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222   -1.2187    1.5247 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