Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.0397    0.5205   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6255    0.4556   -0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -0.7402   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6011   -1.7952   -0.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4787   -0.8362   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -2.0228   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280    0.3812   -0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8043    0.2093   -0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    1.6362   -0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3447   -0.3748    0.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4708    1.0162   -1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391    1.1834    0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4947   -0.4618    0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5562   -2.8973   -0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624   -2.1177   -0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478    0.9584   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231    1.0345    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1624   -0.3073   -1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2511    2.0679   -1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4673    1.5580   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8999    2.2043    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274    0.3738    1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707   -1.1772    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5743   -0.8690    1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers