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
   -2.6871    1.3424   -0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3762    0.8959    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299   -0.2674   -0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476   -0.6687    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5631   -1.8494    0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6062    0.2539    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652    1.3965   -0.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927   -0.1436    0.6051 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9492    0.6859    0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276   -1.3867   -0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480    2.4516   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7959    0.9095   -1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4961    0.8845    0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4771    0.6108    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6537    1.7540    0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6976    0.0540   -1.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4932   -2.1379    1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648   -2.5255    0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485    1.7447    0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6235    0.4769   -0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5415    0.4801    1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5121   -2.3142   -0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0378   -1.5824    0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8268   -1.0649   -0.8914 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