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
   -2.0247   -1.2395   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6098   -0.3278    0.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8611    0.9001    0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910    0.5995   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874    1.0820   -1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.2178    0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659   -0.6797    1.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -0.5118   -0.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726   -1.3089    0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7602    1.7968   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9384   -1.8205    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.7773   -1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349   -2.0192   -0.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136   -0.8591    1.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5396    0.0268    1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6416    1.4916    1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346    1.7070   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5118    0.8417   -1.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2672   -2.3923    0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485   -1.3019   -0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7455   -1.0360    1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2467    2.7363   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9856    1.2529   -1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906    2.0571    0.1655 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