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
    3.0488    1.1889    0.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7947    0.8929    0.1958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597   -0.3674   -0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431   -1.1828   -0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341   -0.8113   -1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.0033   -1.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7282    0.1071   -1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1496    0.3875    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3485    1.3306    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987   -0.9185    1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6707    1.7293    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903    0.2755    1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8648    1.9083    1.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190   -2.6517   -1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5590   -2.3095   -2.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -0.3230   -1.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091    1.0661   -1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3778    0.9102    0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9681    2.3262    0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0444    0.9223   -0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8410    1.3136    1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050   -1.0427    1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0910   -1.7717    0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254   -0.9763    2.0559 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