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
   -2.6812    0.5753    1.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312    0.2247    1.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9771   -0.0515   -0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4528   -0.3894   -0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8316   -1.5491   -1.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    0.5496   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2866    1.7007    0.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    0.1749   -0.4115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8567    1.0798   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8646   -1.1865   -0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091    0.9769    2.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3402   -0.3051    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0314    1.3958    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573    1.1184    1.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9940   -0.6764    1.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2768    0.8441   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532   -2.2512   -1.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8873   -1.7888   -1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7708    1.2496    1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405    2.0573   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8106    0.6087   -0.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539   -1.3615   -1.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604   -2.1079   -0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9298   -0.8884   -0.7795 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