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
    4.2672   -0.4152   -0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9723    0.0974   -0.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022   -0.1512    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639   -0.8657    1.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725    0.3831   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174    1.1173   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894    0.0661    0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8456    0.6024    0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497    0.1276    1.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053    0.0922   -0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837    0.3052    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8636   -0.5301   -1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775   -1.3978   -0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231    1.5613   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2445    1.3125   -1.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895    0.5140    1.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5970   -1.0303    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689    1.7094    0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8549   -0.9693    1.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2785    0.4924    2.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7416    0.6413    1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2954   -0.5569   -0.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8292    0.9440   -1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.5166   -1.4735 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