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
    3.8807    1.1589   -0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169    1.0086   -0.0979 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8781   -0.1529   -0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650   -1.0287   -1.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4653   -0.4043   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0681   -1.5216   -0.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3059    0.6343    0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7588    0.3509    0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0518   -0.8561    1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225    0.2473   -0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5155    0.8125    0.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0575    2.2450   -0.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1281    0.5715   -1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001   -2.2394   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739   -1.8555   -0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1279    0.9098    1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667    1.6174   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189    1.2482    1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072   -0.5248    2.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661   -1.4454    1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8116   -1.5448    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -0.6549   -0.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    1.1851   -0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433    0.2388   -1.5105 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