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
    2.5569    0.4045    1.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050    0.8872    0.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298    0.2032   -0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3695    0.5841   -1.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266    1.2347   -2.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449    0.2878   -0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6942    0.6461   -1.1215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7501   -0.3838    0.6606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311   -0.6667    1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581   -1.3113   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872    0.9103    2.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2883    0.6404    0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4737   -0.6998    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    1.9788    0.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142    0.7142    1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402    0.4585   -1.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2498    1.5313   -2.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169    1.4817   -2.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2344   -1.7484    1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8495   -0.1778    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0808   -0.2437    2.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6399   -1.6418    0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9868   -1.6865   -0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203   -1.7206   -1.2075 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