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
    2.5767    0.3850    1.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708   -0.1766    1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8928   -0.5993   -0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4626   -1.1693   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5872   -2.4093   -0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674   -0.4046   -0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7842   -0.9460   -0.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6504    0.9092    0.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8371    1.6493    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0002    0.5972   -1.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1126    0.1011    2.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757   -0.0585    0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056    1.4813    0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0475   -0.9908    1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913    0.6568    1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6432   -1.3396   -0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3170   -2.9858   -1.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5768   -2.8337   -1.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7572    2.6832    0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818    1.5823    1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7220    1.1761   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0213    0.9709   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5118    1.4077   -0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5029    0.3136   -2.2023 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