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
   -2.8727    0.7410    0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518    0.2606    0.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503    0.0308   -0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604   -0.4470   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9557   -1.6179   -0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    0.4440    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2317    1.5909    0.7129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709    0.0757    0.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    0.9361    1.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6606   -1.0616   -1.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9727    1.4450   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5619   -0.0976    0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2381    1.2589    1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8535    0.9305    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4877   -0.7230    1.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    0.9554   -1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9731   -1.9168   -0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493   -2.2785   -1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953    1.5764    1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    0.3412    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2240    1.6124    0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334   -0.7687   -1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509   -1.9995   -0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831   -1.2884   -2.1285 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