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
    3.3160    0.4003    0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300    0.2322   -0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -0.0130   -1.7826 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962    0.3407    0.1099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3499    0.1575   -0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100    0.2812    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4866    1.2092   -0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770   -0.6009    1.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1107    0.6996   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428    1.2446    0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5614   -0.5109    0.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275    0.9395   -1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079   -0.8385   -1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2369    1.8617   -1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4353    1.3411    0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713   -1.4176    1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9938   -1.0143    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440    0.0451    2.0685 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