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
   -1.7244    1.6991   -1.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5874    0.7501   -1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751   -0.1600    0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -1.1015    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0107   -2.3931    0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5378   -0.5906    0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614   -1.4229    0.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8865    0.7483    0.6449 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962    1.1092    0.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1318   -0.9746   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4095    1.7960   -0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976    1.3895   -2.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    2.7397   -1.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3698    0.2115   -2.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2805    1.3785   -0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1043    0.5150    0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8343   -3.0500    0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9394   -2.8631    0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4920    0.9064    1.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3428    2.2033    0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839    0.5233    0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643   -0.2459   -0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287   -1.5174    0.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -1.6508   -1.0425 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