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
    3.1210   -0.0024    1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208    0.1507    0.4845 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6342   -0.4183   -0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5112   -1.1718   -1.2452 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684   -0.1935   -1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496   -0.7563   -2.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158    0.6652   -0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387   -0.0393    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8171   -0.4876    1.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6706    0.9198    0.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378   -0.6826    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069    1.0109    1.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369   -0.3002    2.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800   -0.5884   -3.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9513   -1.3533   -2.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3624    1.0460   -1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955    1.5935   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -0.9434   -0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129   -0.8753    2.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3030    0.3298    1.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408   -1.3464    1.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5037    0.3272    0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    1.6031    1.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9271    1.5126   -0.3311 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