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
    4.2868    0.1949    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    0.5548    0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8945   -0.2952    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0820   -1.3936    0.8848 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464    0.1181   -0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3726    1.2627   -0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676   -0.7988    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -0.1553   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0949    1.0516    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9656   -1.2146    0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    0.9677    0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072   -0.8195    0.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2803    0.2776    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5807    1.5751   -1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    1.9082   -0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546   -1.7684   -0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5324   -1.1192    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    0.1131   -1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5495    1.9155    0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1391    1.2807    1.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659    0.7408    1.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821   -1.3012    1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5516   -2.1566   -0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8769   -0.9385   -0.5320 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