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
   -3.3050    0.0692    0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9946    0.7722    0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8382   -0.2039    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    0.4465    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4776    1.7270   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7177   -0.2701    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7766   -1.5067    0.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227    0.3523    0.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -0.3012    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0286   -1.3122   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6783   -0.3919   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2447   -0.6358    1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0365    0.8755    0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0984    1.2096   -0.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8445    1.5968    1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672   -0.6597    1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    2.2931   -0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515    2.2002   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -0.8653    1.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3491   -0.9618   -0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9461    0.5188   -0.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525   -1.1290   -1.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864   -1.5849   -0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5504   -2.2386   -0.1122 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