Monomers

Methyl 3-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=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
   -1.2697   -1.7047   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7768   -0.4844   -0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0575    0.7773   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    0.8611   -0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5987    1.5711   -2.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598    0.2389   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6080    0.4064   -0.7214 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006   -0.5124    0.9043 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4697   -1.1066    1.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489    1.3191    0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -2.5820   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0662   -1.6189    1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3413   -2.0343   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8230   -0.3191   -0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558   -0.6455   -1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6447    1.5546   -1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    2.0530   -2.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337    1.6381   -2.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4525   -0.9393    1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2520   -2.1832    1.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5424   -0.6452    2.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775    0.4506    1.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187    2.0239    1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0914    1.8814    1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  3 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  5 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