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
    3.2228    0.9515   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9739    0.5064   -0.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6639   -0.8148    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5061   -1.6876   -0.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736   -1.2008    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0903   -2.4706    0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6262   -0.1678    1.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350    0.6875   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6507   -0.1836   -1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1692    1.5876    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    0.4987   -1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0395    0.7027    0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548    2.0604   -0.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728   -2.7809    1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620   -3.2764    0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5164   -0.6187    1.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1838    0.5303    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2462    1.3417   -0.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1485    0.5282   -1.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282   -0.8455   -1.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4774   -0.7552   -0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6228    2.1373   -0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004    2.3090    1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    0.9606    0.9186 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