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
   -2.8811    1.0604    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5683    0.4509   -0.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5078   -0.6226   -0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576    0.0014   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -0.9893   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -2.2495   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403   -0.5760    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157   -1.3498    0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057    0.7494    0.8543 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304    1.2173    1.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9201    1.4548    0.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1902    1.8733    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001    0.3191    1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4601    0.0064   -1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118    1.2522   -1.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571   -1.3748    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266   -1.0498   -1.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023    0.7796   -0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4513    0.4524    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486   -2.9621   -0.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3071   -2.5345   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2283    0.3738    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290    1.7573    2.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9345    1.9601    0.6161 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