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
    3.7945   -0.2657   -1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8306    0.2954   -0.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4891    0.3225   -0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0922   -0.1695   -1.7585 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857    0.8854    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8717    1.4070    1.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9563    0.9042   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423   -0.4673   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4154   -1.3490    0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355   -0.2644   -0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5454    0.5359   -1.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -0.5766   -2.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3189   -1.0786   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    1.4040    1.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011    1.8490    2.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    1.5366    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590    1.4264   -1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.8993   -1.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -1.1237    1.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3675   -1.4046    1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608   -2.4036    0.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0905    0.5191   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4273   -1.2367   -0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445    0.1538    0.3184 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