Monomers

Methyl 3-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=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
   -3.3498   -0.0400   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -0.1634   -0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8911    0.1635    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4599    0.0322   -0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615   -0.3559   -1.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    0.3323    0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    0.7048    1.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8845    0.1874   -0.2673 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1312    0.4340    0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386   -0.7774    1.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5980   -0.8524    0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0631   -0.0494   -1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4728    0.9501    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9378    0.4993   -1.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8840   -1.2251   -1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0492    1.2200    0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3177   -0.5768   -2.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5271   -0.4565   -2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0851    1.1854    1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670   -0.5224    0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825    0.8771   -0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980   -1.7300    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5619   -0.3197    2.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0859   -1.0036    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  3 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  5 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