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
   -3.0163    0.3162   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110   -0.6902   -0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6158   -0.0384   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601   -0.9214   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4346   -2.1945   -0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762   -0.3344   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8764   -1.0740   -0.2877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    0.9785    0.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3287    1.5705    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964    0.5142    1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6296    1.2663    0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5137    0.5975   -1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7547   -0.0694    0.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9278   -0.9927   -1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0508   -1.6081    0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737    0.8284   -0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3121   -2.7988   -0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315   -2.6425   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1442    0.8690    0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3139    1.9938    1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3801    2.4292   -0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1123    0.0909    1.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881    0.2872    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5861    1.6225    1.3043 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