Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=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
    2.6464    1.3557   -1.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    0.7037   -0.8182 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262   -0.6516   -0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073   -1.3627   -1.6748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889   -1.3334    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833   -2.5731   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290   -0.5103    1.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9688    0.5685    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368    1.3152    1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0504    0.0478   -0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807    2.2090   -2.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5475    1.6350   -1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268    0.6231   -2.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244   -2.6953    0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -3.5462   -0.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8328   -1.1841    1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031   -0.0881    1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3752    1.3299   -0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6451    0.8367    1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7238    2.4012    1.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0596    1.1657    2.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8907    0.4287   -1.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0612   -1.0535   -0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0693    0.3781   -0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 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