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
   -1.5358    1.7422    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243    0.4846   -0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327   -0.7390   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1864   -0.7046   -0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -1.3626   -1.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400   -0.0250    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896    0.5990    1.1588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591   -0.0333   -0.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753    0.6325    0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4251   -1.2888    1.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    2.1710   -0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389    2.5291   -0.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720    1.6991    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0861    0.3495   -0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1587    0.6814   -1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451   -1.5535   -0.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1653   -1.9123   -2.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5686   -1.3455   -2.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317   -0.0521    1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053    0.9735   -0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026    1.5196    0.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5222   -1.2808    1.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050   -2.3617    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -0.7222    1.9532 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