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
    3.9071    0.5487   -0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    0.5319   -0.8101 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -0.4034    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6722   -1.2117    0.6188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -0.4585    0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0273   -1.3832    1.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3363    0.5134   -0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7896    0.5242   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1127    0.8073    1.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372   -0.6932   -0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1781    1.0875   -1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3527    1.0883   -0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259   -0.4793   -0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0397   -1.4277    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6889   -2.0776    1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0627    1.5351   -0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1156    0.4090   -1.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2227    1.3977   -0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2052    0.8525    1.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180    0.0796    1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022    1.8028    1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1951   -1.0908    0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2418   -0.4461   -1.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8961   -1.5067   -1.0223 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