Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=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
    3.8283    1.0445   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7984    0.1232    0.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842    0.0603   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    0.8287   -1.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.8884    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8631   -1.6861    1.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7530   -0.9904   -0.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242    0.2948   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7951    0.7372    0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8670    0.0575   -1.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914    2.0169   -0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862    1.2239    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039    0.5627   -0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8304   -1.5932    1.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1295   -2.4139    1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3061   -1.8491   -0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -1.2019   -1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101    1.0785   -0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4072    1.6611    0.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8913    0.9530    1.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3973   -0.0134    1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794   -0.5103   -2.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5570   -0.5241   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955    1.0287   -1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 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