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
   -2.7747    1.6684   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831    0.7776   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8325   -0.6474   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799   -1.5148   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -1.1909    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852   -2.0040    1.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -0.1158   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3406    0.7267   -1.1179 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.0374    0.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6263    1.0698    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032    2.6910    0.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4360    1.7778   -0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3077    1.2666    0.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312    0.9689   -1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8039    1.1121    0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -1.0545   -0.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0431   -0.8139    0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5852   -1.5490   -1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0129   -2.5680   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583   -2.8169    1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123   -1.8452    1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467    1.5106   -0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5222    1.8311    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    0.6824    0.1399 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