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
    2.5143   -2.2204   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5054   -1.2567    0.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    0.0846    0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0165    0.3821    0.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026    1.0981    0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2432    2.3709    0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278    0.8723    0.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402    0.4923   -0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598   -0.7737   -1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8628    0.2285    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2297   -3.1311    0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4909   -2.4910   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5277   -1.8503    0.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859    2.6201    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5640    3.1886    0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7822    0.0411    1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037    1.7558    1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    1.3621   -1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9594   -1.0006   -1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0562   -1.5995   -0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1513   -0.7039   -1.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7092   -0.4241    0.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    1.2191    0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4892   -0.2643   -0.6863 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