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
   -2.4514    1.3849    0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1817    0.0555   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159   -0.1224   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1288   -0.0926    0.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654   -0.1247    1.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5746   -0.0242    0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432    0.0038    1.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    0.0109   -0.6419 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282    0.0771   -0.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3810   -1.3235   -1.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1928    1.2424    1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9216    2.0441   -0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    1.8728    0.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5926   -0.7574    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6947    0.0119   -1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092    0.7860   -1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4341   -0.1753    2.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886   -0.1007    2.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0002   -0.3454    0.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926    1.0983   -0.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192   -0.5626   -1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788   -1.9737   -0.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915   -1.9308   -1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775   -1.0543   -2.2779 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