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
   -1.6472    0.5313    1.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977   -0.5580    0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1017   -0.4177   -0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.3118   -0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0957   -1.3303   -0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946    0.8946   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698    1.8835    0.2461 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4789    0.9390   -0.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2074    2.0796    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592   -1.7405   -1.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6648    0.5214    2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    0.3879    2.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041    1.5241    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4426   -1.5439    1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9040   -0.7296    0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5928    0.3749   -1.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6573   -2.2139   -1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   -1.2448   -0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9816    1.7416    1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6242    2.5985   -0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5145    2.8010    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815   -1.7809   -2.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1564   -2.5946   -0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5749   -1.8114   -1.4272 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