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
   -2.9181    1.0486    0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5244    0.9289   -0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0546   -0.5113   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426   -0.5592   -0.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6011   -1.1446   -2.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    0.0318   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    0.5887    0.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7328   -0.0006   -0.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503    0.5642    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -1.2024    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    1.8403   -0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5109    0.1077    0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8700    1.2758    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477    1.5304    0.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5054    1.3390   -1.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7199   -1.0308   -1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6081   -1.1817   -2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087   -1.5984   -2.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1827   -0.0478    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972    0.6924   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4925    1.5693    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1543   -1.5693    1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879   -2.1276    0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7817   -0.5435    1.7840 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