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
   -2.8924    0.9828   -0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5236    0.3370   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889    0.2203    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -0.4026    0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -1.4657    1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5439    0.1736   -0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285    1.2014   -1.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7977   -0.4118   -0.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8030    0.1036   -1.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255   -0.5374    1.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6174    0.2332   -0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7063    1.7356    0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1542    1.4909   -1.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9365    0.9069   -1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7470   -0.6729   -1.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668    1.2465    1.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8834   -1.8827    1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193   -1.9101    1.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1883    1.0259   -0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914    0.3775   -2.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6085   -0.6546   -1.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7316   -1.5859    1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2195   -0.4353    2.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338   -0.0765    1.6233 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