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
   -1.7141    1.8171    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8048    0.7225   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3080   -0.5863    0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -0.4752    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4072   -0.6902    1.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748   -0.1348   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608    0.0824   -1.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645   -0.0492    0.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779    0.2717   -0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3565   -1.6711   -0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    2.1401    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0782    1.4865    1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2499    2.7394    0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2876    0.9911   -1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791    0.5662   -0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9187   -0.9031    1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3903   -0.9479    2.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378   -0.6084    2.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    1.3763   -0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4698   -0.0322   -1.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4623   -0.2382   -0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506   -1.8404   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1041   -1.3776   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6565   -2.6388   -0.3987 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