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
   -2.6084    1.5636   -0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2896    1.1859   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1636   -0.2939    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1669   -0.5615    0.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104   -1.0947    1.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130   -0.2466    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850    0.2637   -1.0362 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451   -0.4922    0.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8408   -0.1747    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -1.0719   -1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3841    1.5236    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8918    0.8654   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5233    2.5950   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129    1.6210    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4286    1.6262   -0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709   -0.6873    0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6983   -1.3447    2.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1521   -1.2884    2.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7534   -0.4105   -1.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544    0.9240    0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7146   -0.6949    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6413   -0.5652   -1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -1.1340   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899   -2.1079   -0.9136 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