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
    3.6681    1.2625    1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    0.8822    0.7000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -0.4167    0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8920   -1.3021    0.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753   -0.7308   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187   -1.9816   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899    0.3908   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6573   -0.0328   -0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432   -0.9597    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456    1.2032   -0.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    0.5545    1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730    2.2971    1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3321    1.3084    0.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618   -2.7257   -0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379   -2.2655   -0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052    0.9848    0.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059    1.0858   -1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -0.5046   -1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092   -0.4415    0.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8199   -1.8344   -0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -1.2945    1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758    1.3019    0.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9274    2.1140   -0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1924    1.1046   -1.6925 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