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
    3.1179    1.3497   -0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878    0.6710   -0.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6937   -0.5198    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6803   -0.9400    1.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890   -1.3089    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800   -2.4907    0.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -0.9706   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032    0.0852    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8193    0.3125   -0.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776    1.4387    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469    0.8568   -0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    1.2365    0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0388    2.4274   -0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3868   -3.1334    0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384   -2.8139    1.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2737   -1.9102   -0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -0.6299   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.2908    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271   -0.6018   -1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6027    1.1515   -1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6550    0.6565   -0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112    1.7136   -0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144    2.1882    0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554    1.5225    0.9871 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