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
   -2.2001   -1.5788   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151   -0.7161   -0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155    0.2446    0.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411    1.1099    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3218    2.4163    0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    0.5245    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277    1.3038   -0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -0.8176    0.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2926   -1.4164    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9344    1.1190    0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3281   -1.5344    1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0499   -2.6419   -0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1329   -1.1866   -0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2901   -0.1429   -1.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556   -1.3899   -0.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5224   -0.3733    1.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    3.0383    0.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143    2.8884    0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1299   -0.6894    0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5341   -2.1790    0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2398   -1.9671   -0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599    1.8259    1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283    0.4804    1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1439    1.6822   -0.0039 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