Monomers

Methyl 3-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=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
   -1.5162    1.4853    1.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8367    0.7108    0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287   -0.6638    0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2485   -0.6367    0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188   -1.2406    1.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0958    0.0128   -0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5778    0.5899   -1.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598   -0.0080   -0.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652    0.6017   -1.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916   -1.3527   -0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4263    1.6728    2.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1252    2.5175    1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7854    0.8959    2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396    0.5785    0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5688    1.2664   -0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6211   -1.2327    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133   -1.2528    1.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1844   -1.7238    2.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3627    0.5874   -0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1187    1.6674   -1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    0.0096   -2.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -1.8333   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -2.0845   -1.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684   -0.5671   -1.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  3 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  5 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