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
   -1.1081    1.8899   -0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7479    0.5655   -0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2524   -0.2055    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453   -0.6026    0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921   -1.9376    0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244    0.2300    0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087    1.4660    0.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6159   -0.3428    0.6259 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7685    0.4713    0.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1419   -1.4820    0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741    1.8571   -1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510    2.4649    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    2.5423   -1.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405    0.7882   -0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180   -0.0534   -1.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4867    0.3614    1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929   -2.6709    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064   -2.3101    0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283    1.4541    0.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6378   -0.0068    0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847    0.6763    1.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9746   -2.0215    1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205   -2.0580   -0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1941   -1.0758    0.6672 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