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
    3.8348   -0.6832   -0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8054    0.2849   -0.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5359   -0.0958   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174   -1.2767   -0.7676 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4657    0.8569   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943    2.1049   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    0.4678   -0.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4555   -0.6227    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956   -0.1397    1.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280   -0.7656   -0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7922   -0.2734    0.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059   -1.5262    0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9939   -0.9759   -1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874    2.3933    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    2.8692   -0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047    1.3201   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450   -0.0056   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8967   -1.5492   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2802    0.6362    1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5216    0.1662    1.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8360   -1.0014    2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9882   -0.9209   -1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3722    0.2546   -0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345   -1.5177    0.3054 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