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
   -3.9791   -0.6001    0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5538   -0.4531    0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052    0.6440   -0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064    1.5012   -0.8804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649    0.8485   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0507    1.9295   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3164   -0.1881    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7910   -0.0132    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2934   -0.0074   -0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -1.2178    1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3087   -1.1689    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3896    0.4148    0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2527   -1.1427   -0.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061    2.1556   -0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098    2.6484   -1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -0.3806    1.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1076   -1.1522   -0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306    0.9184    0.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416   -0.9642   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0312    0.8120   -1.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.0135   -1.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -0.9196    2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311   -2.0049    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1945   -1.6730    0.5624 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