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
   -2.7919    1.2552   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1047   -0.0958   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265    0.1479   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1617   -1.1079   -0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318   -2.2696   -0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162   -0.9934   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3550   -2.0240   -0.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2679    0.2261   -0.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6603    0.3883   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047    0.9315    0.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133    2.0518   -0.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6588    1.2557   -0.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    1.5120    0.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3895   -0.6309    0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023   -0.6699   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3137    0.7677   -1.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1629   -3.1753   -0.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -2.3656   -0.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0791    0.6198   -1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101   -0.4425    0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751    1.2889    0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688    0.5846    1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667    0.7333    1.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2470    2.0120    0.7194 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