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
    3.8482    0.5987    0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393   -0.2088    0.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5638    0.2449   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3242    1.4573    0.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5116   -0.5857   -0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7738   -1.8372   -0.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302   -0.0425   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5008    0.4742    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754   -0.5926    1.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9052    0.9183   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7192    0.6234   -0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821    1.6289    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437    0.1968    1.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404   -2.2758   -0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037   -2.4621   -1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7795    0.8401   -1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100   -0.7598   -1.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9266    1.2963    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -0.1366    2.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3026   -1.4419    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363   -0.9903    1.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4968    1.2653    0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7788    1.7360   -0.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614    0.0532   -0.6139 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