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
   -2.9113   -0.3311    1.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -0.7125    0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447    0.0790   -0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259   -0.2596   -0.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5478   -0.8493   -2.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963    0.0191   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2874    0.5807    1.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -0.2922   -0.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -0.0253    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883    1.5687   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3639   -1.2224    1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5337   -0.1442    0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9796    0.5018    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -0.6460    1.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5490   -1.7877    0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312   -0.1807   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5314   -1.1292   -2.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703   -1.0981   -2.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    0.9675    0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.7666    1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373   -0.0557   -0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8273    1.8793    0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6133    2.0703   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2526    1.8342   -0.4037 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