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
   -3.4176   -0.5202    0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6464    0.7314   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1986    0.3537   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.2741    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362   -0.6146    0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2004   -1.8800    0.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8264    0.3738    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    1.5887    0.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.0185   -0.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0518    1.0203   -0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414   -0.6709    1.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4766   -0.3974    0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9767   -1.4179   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0555    1.0579   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7405    1.5347    0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353    1.2277   -0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.3656   -1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1650   -1.1771    1.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6422    0.3835    1.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305   -2.1881    0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4767   -2.6190    0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295    0.5130   -0.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1230    1.8012    0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561    1.5204   -1.3588 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