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
   -1.2825    1.9899    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572    0.6480    0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602   -0.3123   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1959   -0.6956   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699   -1.9411    0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441    0.2130   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257    1.4090   -0.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973   -0.2978    0.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7547    0.5278    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -1.5744   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0940    2.5295   -0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797    2.0792    1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1293    2.6126    0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931    0.7845   -0.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0651    0.1767    1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1889    0.0361   -1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786   -2.2548    0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3213   -2.6610    0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031    1.6074    0.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298    0.3072    1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025    0.3161   -0.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967   -1.2510   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -2.3553   -1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0957   -1.8935    0.5105 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