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
   -2.8556    0.3801   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0394   -0.1239    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796    0.1434    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398   -0.4353   -0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743   -1.2181   -1.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.1475   -0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1801   -0.6238   -1.7801 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935    0.6687    0.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5534    1.0209   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0455   -0.3491    1.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726    0.7327   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5408   -0.4225   -0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441    1.1999   -0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2735   -1.1930    0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3948    0.4038    1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4294    1.2599    0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -1.5057   -1.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0651   -1.6558   -2.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    0.3807   -0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    0.8336    0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6272    2.0973   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451    0.3183    2.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395   -0.3766    2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936   -1.3879    1.5952 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