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
   -3.3201    0.1449    0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0645    0.4428   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8164    0.0222    0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447    0.3750   -0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453    0.9115   -1.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6915    0.0984    0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8594   -0.4144    1.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402    0.3918   -0.5614 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.1392   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711   -1.4554    0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7994   -0.7892    0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0473    0.9523    0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0993    0.0689    1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0235    1.5181   -0.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1627   -0.0851   -1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7554    0.6032    1.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1142    1.1478   -2.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161    1.1276   -2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -0.9241    0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3013    0.5980    0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.6627   -0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2223   -1.8650    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8859   -1.6423    1.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219   -2.0291    0.1726 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