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
    3.7078   -1.1716   -0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186   -0.0550   -0.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5597   -0.1414   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -1.2064    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6316    0.9528   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204    2.0793   -0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860    0.9281    0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7520    0.1171   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0040    0.3166    0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.3552   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5280   -1.7466    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5374   -1.8263   -1.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361   -0.7876   -0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0004    2.0872   -1.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638    2.9473   -0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547    1.9965    0.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844    0.5662    1.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554    0.4967   -1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.0220    0.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0021    1.3941    1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8078   -0.3290    1.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5965   -1.7747   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8805   -1.7039   -0.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2876   -1.8063    0.8335 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