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
   -1.9661    1.3879    1.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0228    0.8550    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789   -0.5519    0.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3370   -1.0020   -0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490   -2.1116   -1.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445   -0.2735   -0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937   -0.7148   -1.8361 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.8879   -0.3075 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719    1.5584   -0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7434   -1.4914    0.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5338    1.3626    2.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417    2.4571    1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9214    0.8595    1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477    0.9248   -0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710    1.5613    0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110   -0.5296    1.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351   -2.6855   -0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -2.4870   -1.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659    0.8215   -0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9923    2.3044   -1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    2.0858    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638   -1.6000   -0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4012   -1.1271    1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3536   -2.4917    0.9979 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