Monomers

Methyl 2-methylidenehexanoate

Identifiers

IUPAC name
methyl 2-methylidenehexanoate
InchI
InChI=1S/C8H14O2/c1-4-5-6-7(2)8(9)10-3/h2,4-6H2,1,3H3
InchI Key
USUBUUXHLGKOHN-UHFFFAOYSA-N
SMILES
CCCCC(=C)C(=O)OC
Canonical SMILES
CCCCC(=C)C(=O)OC
Isomeric SMILES
CCCCC(=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
1.9058
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
   -2.8359   -0.6872   -1.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    0.2489   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4013   -0.3739    0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4645    0.6111    1.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6858    0.8963    0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9112    2.1203    0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688   -0.1839    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451   -1.3407    0.7266 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6712   -0.0122   -0.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914   -1.1353   -0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841   -1.6898   -0.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8818   -0.2978   -1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5351   -0.7989   -2.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263    0.4883   -1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3835    1.2310   -0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2900   -0.4727    1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9782   -1.3516    0.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858    0.2358    2.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0341    1.5443    1.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7430    2.3558   -0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2557    2.9299    0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487   -1.4019   -1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2187   -2.0202   -0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5508   -0.8954   -0.6755 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  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 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
  3 17  1  0
  4 18  1  0
  4 19  1  0
  6 20  1  0
  6 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