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
   -2.3745   -0.5550    1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2770    0.0385   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9319   -0.2345   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1565    0.3487    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0679    1.1960    1.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5686    0.0092   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795   -0.8029   -1.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.5326    0.5862 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772    0.2061    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666    0.1164   -2.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3797   -0.8276    1.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376   -1.4673    1.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666    0.1043    2.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5123    1.1205    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0976   -0.4247   -0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7489   -1.3638   -0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    1.6327    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795    1.4874    1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1723    0.2541   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2501   -0.7735    0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5807    0.9730    0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4260    1.0877   -2.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3733   -0.6971   -2.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900    0.2342   -2.4212 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