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
   -1.7829   -0.8261   -1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478   -1.0008    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0579    0.2022    0.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    0.5383    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286    1.7766   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733   -0.4309    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1905   -1.6080    0.7001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6059   -0.0442   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7173   -0.8979   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    1.3998    0.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628   -0.1917   -1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7799   -0.3914   -1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7715   -1.8379   -1.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0971   -1.9271    0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6803   -1.1630    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369   -0.0616    1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253    2.0710   -0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106    2.5621    0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9462   -1.2576    0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6039   -1.7127   -0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878   -0.2795   -0.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467    1.1454    1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204    2.1852    1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0327    1.7500   -0.2369 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