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
   -1.1828    1.9799    0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8503    0.6967    0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471   -0.1650   -0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1784   -0.6548   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3406   -1.9594   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    0.1366   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3886    1.3451   -0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789   -0.4688    0.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.3231    0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0904   -1.3856   -0.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149    2.6329    1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777    1.7802    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202    2.5709   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8364    0.9852   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    0.1239    1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    0.3496   -1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835   -2.6091   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492   -2.2815    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6216   -0.2868   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882    0.6804    1.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1621   -0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2665   -1.8820    0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0975   -0.9928   -1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7049   -2.0806   -1.4815 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