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
    3.9464    0.0690   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.1306   -0.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9647    0.5919    0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6363    1.4578    1.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    0.3763    0.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0396    1.1070    1.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2649   -0.6285    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.5415    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479   -1.5931   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2881    0.8320    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4246    0.8931   -0.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9401    0.2923   -2.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412   -0.8520   -0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916    1.8426    2.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557    1.0646    2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578   -1.6543    0.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1592   -0.3854   -0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8264   -0.6672    1.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3692   -1.8900    0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -2.4725   -0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0094   -1.1426   -1.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495    0.6598   -0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5199    1.5815   -0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660    1.1901    0.9380 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