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
   -2.1563    0.6708    1.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0605    0.7970    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6325   -0.6141    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398   -0.6187   -0.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2431   -1.1985   -2.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7386    0.0201   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    0.0109   -1.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    0.6471    0.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2846    1.2534    0.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8664   -1.3266   -0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0108   -0.2809    2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1212    0.5749    0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1361    1.5544    2.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    1.3263   -0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.4037    0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2878   -1.1707    0.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -1.1920   -2.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006   -1.6673   -2.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9204    0.6417    1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    2.2715    1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7894    1.4108   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6601   -1.3236    0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2327   -0.7922   -1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6121   -2.3980   -0.6407 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